data_[Bi32Mo16O96]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [17.4892]
_cell_length_b [22.8553]
_cell_length_c [5.6560]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5326]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Bi2MoO6]
_chemical_formula_sum '[Bi32 Mo16 O96]'
_cell_volume [2260.7115]
_cell_formula_units_Z [16]
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
[
  Bi  Bi0  4  0.0889  0.5643  0.4996  1
  Bi  Bi1  4  0.0934  0.1950  0.0193  1
  Bi  Bi2  4  0.2570  0.1885  0.4415  1
  Bi  Bi3  4  0.2581  0.6953  0.5004  1
  Bi  Bi4  4  0.2599  0.0701  0.0018  1
  Bi  Bi5  4  0.4096  0.1915  0.9354  1
  Bi  Bi6  4  0.4103  0.0701  0.5048  1
  Bi  Bi7  4  0.4268  0.6939  0.9743  1
  Mo  Mo8  4  0.0825  0.0559  0.4937  1
  Mo  Mo9  4  0.0843  0.6832  0.9849  1
  Mo  Mo10  4  0.2331  0.5610  0.9927  1
  Mo  Mo11  4  0.4168  0.5675  0.5025  1
  O  O12  4  0.0113  0.7272  0.1108  1
  O  O13  4  0.0235  0.1006  0.3074  1
  O  O14  4  0.0278  0.0219  0.7326  1
  O  O15  4  0.0408  0.6433  0.7404  1
  O  O16  4  0.1275  0.6391  0.2205  1
  O  O17  4  0.1332  0.0076  0.2861  1
  O  O18  4  0.1502  0.1036  0.6297  1
  O  O19  4  0.1529  0.2440  0.7511  1
  O  O20  4  0.1607  0.7286  0.8728  1
  O  O21  4  0.1806  0.5263  0.2408  1
  O  O22  4  0.1874  0.6001  0.7365  1
  O  O23  4  0.1975  0.1483  0.1080  1
  O  O24  4  0.2921  0.6152  0.1211  1
  O  O25  4  0.2952  0.5071  0.8750  1
  O  O26  4  0.3208  0.7483  0.2462  1
  O  O27  4  0.3261  0.1178  0.7452  1
  O  O28  4  0.3316  0.2498  0.7344  1
  O  O29  4  0.3369  0.1168  0.2472  1
  O  O30  4  0.3616  0.6331  0.5893  1
  O  O31  4  0.3640  0.5079  0.3752  1
  O  O32  4  0.4603  0.1530  0.6024  1
  O  O33  4  0.4644  0.5397  0.7575  1
  O  O34  4  0.4876  0.7488  0.2279  1
  O  O35  4  0.4886  0.5931  0.3020  1
]