data_[Bi8Mo8]
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
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [5.7269]
_cell_length_b [6.7227]
_cell_length_c [9.7043]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [BiMo]
_chemical_formula_sum '[Bi8 Mo8]'
_cell_volume [373.6196]
_cell_formula_units_Z [8]
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  0.0988  0.8596  0.9445  1
  Bi  Bi1  4  0.2325  0.3379  0.8379  1
  Mo  Mo2  4  0.0770  0.4587  0.1078  1
  Mo  Mo3  4  0.2409  0.1495  0.1536  1
]