TITLE Bi2Sb2CaCu2O8 A2aa (neutrons) Bordet et al. PHYSICA C 156 (1988) 189-192
CELL          5.40950 5.4202 30.92720
LATICE  A  A
SYMTRY  X, Y, Z
SYMTRY  X, -Y, -Z
SYMTRY  1/2+X, -Y, Z
SYMTRY  1/2+X, Y, -Z
ATOM   BI   1 0.00000 0.239   0.4454   4.5  0.94  
ATOM   CA   1 0.00000 0.75    0.25     1.8  0.98	
ATOM   SR   1 0.00000 0.737   0.3586   2.9  1.0
ATOM   CU   1 0.00000 0.264   0.3041   2.0  1.0	
ATOM   O    1 0.25   -0.011   0.3109   0.5  1.0	
ATOM   O    2 0.25    0.496   0.2905   0.5  1.0	
ATOM   O    3 0.00000 0.269   0.3772   5.4  0.93
ATOM   O    4 0.378   0.359   0.4397   9.6  1.0
END
TITLE LaBa2(Cu2Nb)O8 I4/mcm (neutrons) Rey et al. PHYSICA C 167 (1990) 162-167
CELL          5.6107  5.6107  23.9863 90.00000 90.00000 90.00000
SPCGRP I 4/M C M
ATOM   BA   1 0.00000 0.50000 0.0960   0.59 1.00
ATOM   LA   1 0.00000 0.50000 0.2500   0.79 1.00
ATOM   NB   1 0.0     0.0     0.0      0.45 1.00
ATOM   CU   1 0.00000 0.00000 0.1766   0.50 1.00
ATOM   O    1 0.00000 0.00000 0.0807   0.97 1.00
ATOM   O    2 -0.2510 0.2490  0.1842   0.82 1.00
ATOM   O    4 -0.2253 0.2747  0.00000  1.90 1.00
END
TITLE Nd2Ce0.67Sr0.33BaCu3O9 D I4/mmm (neutrons) Kovatcheva et al. PHYSICA C 174 (1991) 280-288
CELL          3.8641  3.8641  28.4970 90.00000 90.00000 90.00000
SPCGRP I 4/m m m
ATOM   ND   1 0.00000 0.00000 0.2964   0.29 1.00
ATOM   CE   1 0.00000 0.00000 0.2964   0.29 1.00
ATOM   ND   2 0.00000 0.00000 0.4238   0.29 1.00
ATOM   BA   1 0.00000 0.00000 0.4238   0.29 1.00
ATOM   SR   1 0.00000 0.00000 0.4238   0.29 1.00
ATOM   CU   1 0.00000 0.00000 0.0000   5.08 1.00
ATOM   CU   2 0.00000 0.00000 0.1417   0.46 1.00
ATOM   O    1 0.096   0.50000 0.0000   0.61 0.92
ATOM   O    2 0.00000 0.00000 0.0645   6.6  1.00
ATOM   O    3 0.00000 0.50000 0.1480   0.61 1.00
ATOM   O    4 0.00000 0.50000 0.2500   0.61 1.00
END
TITLE PbBa0.77Sr1.23PrCeCu3O9 P4mm (neutrons) Rouillon et al.J. SOLID STATE CHEM. Apr17 '91 
CELL          3.8721  3.8721  16.4017 90.00000 90.00000 90.00000
SPCGRP P 4 M M
ATOM   PB   1 0.00000 0.00000 0.00000  1.40 0.93
ATOM   SR   1 0.50000 0.50000 0.1582   1.36 0.76
ATOM   BA   1 0.50000 0.50000 0.1582   1.36 0.24
ATOM   CU   1 0.00000 0.00000 0.2722   0.54 1.00
ATOM   PR   1 0.50000 0.50000 0.3832   0.06 0.50
ATOM   CE   1 0.50000 0.50000 0.3832   0.06 0.50
ATOM   PR   2 0.00000 0.00000 0.5402   0.06 0.50
ATOM   CE   2 0.00000 0.00000 0.5402   0.06 0.50
ATOM   CU   2 0.50000 0.50000 0.6500   0.44 1.00
ATOM   SR   2 0.00000 0.00000 0.7567   0.52 0.47
ATOM   BA   2 0.00000 0.00000 0.7567   0.52 0.53
ATOM   CU   3 0.50000 0.50000 0.8996   1.86 1.00
ATOM   O    1 0.6359  0.50000 0.0056   0.97 0.25
ATOM   O    2 0.00000 0.00000 0.1281   2.44 1.00
ATOM   O    3 0.50000 0.00000 0.2770   1.18 1.00
ATOM   O    4 0.50000 0.00000 0.4565   1.41 1.00
ATOM   O    5 0.50000 0.00000 0.6288   0.73 1.00
ATOM   O    6 0.50000 0.50000 0.7841   1.78 1.00
ATOM   O    7 0.50000 0.00000 0.8996   1.00 0.00
ATOM   O    8 0.00000 0.00000 0.8996   1.00 0.00
END
TITLE Sr2NdCu2O6 Immm (neutrons) Caignaert et al. PHYSICA C 167 (1990) 483-490 
CELL          3.7701 11.4381 20.0938 90.00000 90.00000 90.00000
SPCGRP I M M M
ATOM   ND   1 0.00000 0.00000 0.00000  0.68 1.00
ATOM   ND   2 0.00000 0.3018  0.00000  0.64 0.37
ATOM   SR   1 0.00000 0.3018  0.00000  0.64 0.63
ATOM   SR   2 0.00000 0.00000 0.1954   0.42 0.37
ATOM   ND   3 0.00000 0.00000 0.1954   0.42 0.63
ATOM   SR   3 0.00000 0.3248  0.1770   0.99 1.
ATOM   CU   1 0.00000 0.00000 0.5879   1.33 1.
ATOM   CU   2 0.00000 0.3517  0.6005   0.59 1.
ATOM   O    1 0.00000 0.1601  0.4156   1.38 1.
ATOM   O    2 0.00000 0.1362  0.0969   0.74 1.
ATOM   O    4 0.50000 0.00000 0.4227   1.9  0.29
ATOM   O    5 0.00000 0.00000 0.6860   1.9  1.00
ATOM   O    6 0.00000 0.3485  0.7008   0.83 1.00
ATOM   O    7 0.00000 0.3690  0.50000  0.41 1.00
ATOM   O    8 0.284   0.00000 0.50000  0.82 0.35
END
TITLE Tl2Ba2Ca2Cu3O10 I4/mmm (X-rays, Cu K alpha) Shimakawa et al. PHYSICA C 156 (1988) 97-102 
CELL          3.84775 3.84775 35.5859 90.00000 90.00000 90.00000
SPCGRP I 4/M M M
ATOM   TL   1 0.00000 0.00000 0.22201  2.15 0.96
ATOM   BA   1 0.50000 0.50000 0.1452   1.07 1.04
ATOM   CU   1 0.00000 0.00000 0.0903   0.53 1.03
ATOM   CA   1 0.50000 0.50000 0.0456   1.07 1.23
ATOM   CU   2 0.00000 0.00000 0.00000  0.26 1.03
ATOM   O    1 0.50000 0.50000 0.220    3.5  1.00
ATOM   O    2 0.00000 0.00000 0.160    1.7  1.00
ATOM   O    3 0.00000 0.50000 0.088    0.8  1.00
ATOM   O    4 0.00000 0.50000 0.00000  0.8  1.00
END
TITLE Tl2Ba2CaCu2O8 I4/mmm (neutrons) Hewat et al. PHYSICA C 152 (1988) 438-444 
CELL          3.8558  3.8558  29.2596 90.00000 90.00000 90.00000
SPCGRP I 4/M M M
ATOM   TL   1 0.50000 0.50000 0.2125   1.82 0.97
ATOM   CA   1 0.00000 0.00000 0.00000  1.22 1.08
ATOM   BA   1 0.00000 0.00000 0.1210   0.97 0.98
ATOM   CU   1 0.50000 0.50000 0.0551   0.43 0.98
ATOM   O    1 0.00000 0.50000 0.0528   0.66 1.00
ATOM   O    2 0.50000 0.50000 0.1447   1.22 1.02
ATOM   O    3 0.6256  0.50000 0.2806   3.80 0.27
END
TITLE Tl2Ba2CuO6 A2aa (neutrons) Hewat et al. PHYSICA C 156 (1988) 369-374
CELL          5.4598  5.4645 23.1869  90.00000 90.00000 90.00000
LATICE  A  A
SYMTRY X, Y, Z
SYMTRY X, -Y, -Z
SYMTRY 1/2+X, -Y, Z
SYMTRY 1/2+X, Y, -Z
ATOM   TL   1 0.00000 0.2466  0.4531   0.96 0.88
ATOM   BA   1 0.00000 0.7510  0.3344   0.82 0.95
ATOM   CU   1 0.00000 0.25    0.25     1.01 1.00
ATOM   O    1 0.25    0.00000 0.2508   0.41 0.94
ATOM   O    2 0.00000 0.2452  0.3666   0.64 0.88
ATOM   O    3 0.4685  0.3124  0.4604   2.20 0.91
END
TITLE Tl2Ba2CuO6 I4/mmm (X-rays) Shimakawa et al. PHYSICA C 156 (1988) 97-102
CELL          3.8594  3.8594 23.1272  90.00000 90.00000 90.00000
SPCGRP I 4/M M M
ATOM   TL   1 0.00000 0.0000  0.2031   1.18 1.00
ATOM   BA   1 0.50000 0.5000  0.0841   0.59 1.00
ATOM   CU   1 0.00000 0.0000  0.0000   0.29 0.99
ATOM   O    1 0.50000 0.5000  0.212    6.9  1.00
ATOM   O    2 0.00000 0.0000  0.114    3.4  1.00
ATOM   O    3 0.00000 0.5000  0.0000   1.7 1.00
END
TITLE TlBa2Ca0.5Nd0.5Cu2O7 P4/mmm (neutrons) Michel et al. PHYSICA C 178 (1991) 29-36
CELL          3.8768  3.8768 12.6045  90.00000 90.00000 90.00000
SPCGRP P 4/M M M
ATOM   TL   1 0.0771  0.00000 0.00000  2.00 0.25
ATOM   BA   1 0.5000  0.50000 0.2134   0.96 1.00
ATOM   CA   1 0.5000  0.50000 0.50000  0.47 0.5
ATOM   ND   1 0.5000  0.50000 0.50000  0.47 0.5
ATOM   CU   1 0.00000 0.00000 0.3696   0.58 1.00
ATOM   O    1 0.00000 0.50000 0.3780   0.80 1.00
ATOM   O    2 0.00000 0.00000 0.1613   1.47 1.00
ATOM   O    3 0.5712  0.50000 0.0000   0.60 0.225
END
TITLE Tl2Sr2CuO5 P4/mmm (neutrons) Kovatcheva et al. PHYSICA C 173 (1991) 444-452
CELL          3.7853  3.7853  8.8278  90.00000 90.00000 90.00000
SPCGRP P 4/M M M
ATOM   TL   1 0.056   0.0000  0.5000   0.89 0.25
ATOM   SR   1 0.50000 0.50000 0.2057   0.89 0.50
ATOM   LA   1 0.50000 0.50000 0.2057   0.89 0.50
ATOM   CU   1 0.00000 0.0000  0.0000   0.89 1.00
ATOM   O    1 0.00    0.00000 0.2693   0.89 1.00
ATOM   O    2 0.50000 0.00000 0.0000   0.89 1.00
ATOM   O    3 0.417   0.5000  0.5000   0.89 0.25
END
TITLE Y2Ba4Cu7015 (neutrons) Hewat et al. PHYSICA C 167 (1990) 579-590
CELL          3.8388  3.8763  50.354  90.00000 90.00000 90.00000
LATICE  C  A
SYMTRY  X, Y, Z  
SYMTRY  X,-Y,-Z  
SYMTRY -X, Y,-Z  
SYMTRY -X,-Y, Z  
ATOM   Y    1 0.50000 0.50000 0.1140   0.48 1.00
ATOM   BA   1 0.50000 0.50000 0.0427   0.37 1.00
ATOM   BA   1 0.50000 0.50000 0.1883   0.37 1.00
ATOM   CU   1 0.00000 0.00000 0.00000  0.43 1.00
ATOM   CU   2 0.00000 0.00000 0.0818   0.43 1.00
ATOM   CU   3 0.00000 0.00000 0.1493   0.43 1.00
ATOM   CU   4 0.00000 0.00000 0.2304   0.43 1.00
ATOM   O    1 0.00000 0.00000 0.0346   0.51 1.00
ATOM   O    2 0.50000 0.00000 0.0865   0.51 1.00
ATOM   O    3 0.00000 0.50000 0.0868   0.51 1.00
ATOM   O    4 0.50000 0.00000 0.1445   0.51 1.00
ATOM   O    5 0.00000 0.50000 0.1437   0.51 1.00
ATOM   O    6 0.00000 0.00000 0.1933   0.51 1.00
ATOM   O    7 0.00000 0.50000 0.232    0.51 1.00
ATOM   O    8 0.00000 0.50000 0.00000  0.51 1.00
END
TITLE YBa2Cu3O6 P4/mmm (neutrons) Hewat et al. SOLID ST. COMM. VOL.64 (1987) 301
CELL          3.8920  3.8920 11.9909  90.00000 90.00000 90.00000
SPCGRP P 4/M M M
ATOM   BA   1 0.50000 0.50000 0.1944   2.25 1.00
ATOM   Y    1 0.50000 0.50000 0.50000  1.69 1.00
ATOM   CU   1 0.00000 0.00000 0.00000  3.13 1.00
ATOM   CU   2 0.00000 0.00000 0.3613   1.75 1.00
ATOM   O    1 0.00000 0.00000 0.1501   3.74 1.00
ATOM   O    2 0.50000 0.00000 0.3791   2.01 1.00
END
FINISH
TITLE YBa2Cu3O7 Pmmm neutrons (1.909A) Capponi et al. (1987) Europhysics Lett. 3, 1301-1307
CELL          3.81280 3.8806 11.63030 90.00000 90.00000 90.00000
SPCGRP P M M M
ATOM   BA   1 0.50000 0.50000 0.18260  1.00 1.00
ATOM   Y    1 0.50000 0.50000 0.50000  1.00 1.00
ATOM   CU   1 0.00000 0.00000 0.00000  1.00 1.00
ATOM   CU   2 0.00000 0.00000 0.35420  1.00 1.00
ATOM   O    1 0.00000 0.00000 0.15950  1.00 1.00
ATOM   O    2 0.50000 0.00000 0.37730  1.00 1.00
ATOM   O    3 0.00000 0.50000 0.37690  1.00 1.00
ATOM   O    4 0.00000 0.50000 0.00000  1.00 1.00
END    
TITLE YBa2Cu4O8 Ammm (neutrons) Kaldis et al. PHYSICA C 159 (1989) 668-680 
CELL          3.8375  3.8713 27.1743  90.00000 90.00000 90.00000
LATICE  C  A
SYMTRY X, Y, Z
SYMTRY X, -Y, -Z
SYMTRY -X, Y, -Z
SYMTRY -X, -Y, Z
ATOM   BA   1 0.50000 0.50000 0.1347   0.56 1.00
ATOM   Y    1 0.50000 0.50000 0.00000  0.15 1.00
ATOM   CU   1 0.00000 0.00000 0.2124   0.32 1.00
ATOM   CU   2 0.00000 0.00000 0.0614   0.43 1.00
ATOM   O    1 0.00000 0.00000 0.1451   0.45 1.00
ATOM   O    2 0.50000 0.00000 0.0522   0.36 1.00
ATOM   O    3 0.00000 0.50000 0.0528   0.49 1.00
ATOM   O    4 0.00000 0.50000 0.2185   0.78 1.00
END
TITLE Al2Cu
CONDIT    CU   1.54180 3.  70.  2
CELL           6.0630  6.0630  4.8720  90.0000  90.0000  90.0000
SPCGRP I 4/M C M
ATOM   AL   1 0.15410 0.65410 0.00000  1.00 1.00
ATOM   CU   1 0.00000 0.00000 0.25000  1.00 1.00
END
TITLE Al4Cu9
CONDIT    CU   1.54180 3.  80.  2
CELL           8.7039  8.7039  8.7039  90.0000  90.0000  90.0000
SPCGRP P -4 3 M
ATOM   AL   1 0.11200 0.11200 0.11200  1.00 1.00
ATOM   AL   2 0.81200 0.81200 0.53600  1.00 1.00
ATOM   CU   1 0.82800 0.82800 0.82800  1.00 1.00
ATOM   CU   2 0.33100 0.33100 0.33100  1.00 1.00
ATOM   CU   3 0.60100 0.60100 0.60100  1.00 1.00
ATOM   CU   4 0.35600 0.00000 0.00000  1.00 1.00
ATOM   CU   5 0.85600 0.50000 0.50000  1.00 1.00
ATOM   CU   6 0.31200 0.31200 0.36000  1.00 1.00
END
TITLE Al6Mn
CONDIT    CU   1.78890 3.  70.  2
CELL           7.5518  6.4978  8.8703  90.0000  90.0000  90.0000
SPCGRP C M C M
ATOM   AL   1 0.32400 0.00000 0.00000  1.00 1.00
ATOM   AL   2 0.00000 0.14020 0.10200  1.00 1.00
ATOM   AL   3 0.31700 0.28380 0.25000  1.00 1.00
ATOM   MN   1 0.00000 0.45670 0.25000  1.00 1.00
END
TITLE NYAB-Y-Al-Borate
CONDIT         1.7889  5.  20.0   2 1
CELL           9.4000  9.4000  7.3000  90.0000  90.0000 120.0000
SPCGRP R 3 2
ATOM   AL   1 0.44400 0.00000 0.00000  0.20 1.00
ATOM   B    1 0.00000 0.00000 0.50000  0.20 1.00
ATOM   B    2 0.44300 0.00000 0.50000  0.20 1.00
ATOM   O    1 0.14890 0.00000 0.50000  0.20 1.00
ATOM   O    2 0.40890 0.00000 0.50000  0.20 1.00
ATOM   O    3 0.18340 0.21700 0.18710  0.20 1.00
ATOM   Y    1 0.00000 0.00000 0.00000  0.20 1.00
END
TITLE 0mega-AlCuFe
CONDIT    CU   1.54180 3.  80.  2
CELL           6.3360  6.3360 14.8700  90.0000  90.0000  90.0000
SPCGRP P 4/M N C
ATOM   AL   1 0.00000 0.00000 0.13400  1.00 1.00
ATOM   AL   2 0.16500 0.66500 0.25000  1.00 1.00
ATOM   CU   1 0.27800 0.08800 0.00000  1.00 1.00
ATOM   FE   1 0.00000 0.00000 0.29920  1.00 1.00
END