data_[Ca32V28Zn4Bi4O112]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  V  1.6300  1.3500  0.7775
  Zn  1.6500  1.3500  0.8800
  Bi  2.0200  1.6000  1.0350
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [18.9328]
_cell_length_b [10.9596]
_cell_length_c [14.1742]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.4908]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Ca8V7ZnBiO28]
_chemical_formula_sum '[Ca32 V28 Zn4 Bi4 O112]'
_cell_volume [2632.3081]
_cell_formula_units_Z [4]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
[
  Ca  Ca0  4  0.1048  0.0464  0.3017  1
  Ca  Ca1  4  0.1196  0.4697  0.3013  1
  Ca  Ca2  4  0.1800  0.2517  0.7025  1
  Ca  Ca3  4  0.2894  0.2637  0.0188  1
  Ca  Ca4  4  0.3856  0.0482  0.7016  1
  Ca  Ca5  4  0.3875  0.4531  0.7014  1
  Ca  Ca6  4  0.4876  0.0440  0.0249  1
  Ca  Ca7  4  0.4981  0.4470  0.0226  1
  V  V8  4  0.0450  0.2687  0.4048  1
  V  V9  4  0.1838  0.0052  0.0929  1
  V  V10  4  0.2010  0.4770  0.0918  1
  V  V11  4  0.2951  0.9812  0.4056  1
  V  V12  4  0.3140  0.4988  0.4047  1
  V  V13  4  0.4575  0.2334  0.5923  1
  V  V14  4  0.4844  0.2516  0.2031  1
  Zn  Zn15  4  0.2478  0.2504  0.4977  1
  Bi  Bi16  4  0.3275  0.2331  0.2980  1
  O  O17  4  0.0041  0.4129  0.3667  1
  O  O18  4  0.0108  0.8673  0.6370  1
  O  O19  4  0.0701  0.2559  0.5374  1
  O  O20  4  0.0714  0.3292  0.7393  1
  O  O21  4  0.1143  0.0174  0.9662  1
  O  O22  4  0.1271  0.2563  0.3801  1
  O  O23  4  0.1292  0.4843  0.1356  1
  O  O24  4  0.1313  0.0322  0.6640  1
  O  O25  4  0.1667  0.4301  0.9651  1
  O  O26  4  0.2250  0.1339  0.8670  1
  O  O27  4  0.2432  0.6234  0.1081  1
  O  O28  4  0.2441  0.1229  0.6087  1
  O  O29  4  0.2465  0.8777  0.8825  1
  O  O30  4  0.2470  0.1339  0.1375  1
  O  O31  4  0.2526  0.3718  0.3812  1
  O  O32  4  0.2577  0.3757  0.8428  1
  O  O33  4  0.2848  0.3801  0.1629  1
  O  O34  4  0.3540  0.0182  0.8409  1
  O  O35  4  0.3561  0.0419  0.0373  1
  O  O36  4  0.3620  0.4650  0.0366  1
  O  O37  4  0.3704  0.2507  0.6068  1
  O  O38  4  0.3871  0.5373  0.8657  1
  O  O39  4  0.4162  0.1772  0.2404  1
  O  O40  4  0.4365  0.1984  0.4639  1
  O  O41  4  0.4382  0.2504  0.0662  1
  O  O42  4  0.4805  0.3497  0.8435  1
  O  O43  4  0.4986  0.4036  0.2394  1
  O  O44  4  0.4997  0.0994  0.6632  1
]