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 [P4/m]
_cell_length_a [10.1660]
_cell_length_b [10.1660]
_cell_length_c [4.2967]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [83]
_chemical_formula_structural [BiMo]
_chemical_formula_sum '[Bi8 Mo8]'
_cell_volume [444.0576]
_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  0.1197  0.2176  0.0000  1
  Bi  Bi1  4  0.2993  0.6405  0.5000  1
  Mo  Mo2  4  0.0858  0.5834  0.0000  1
  Mo  Mo3  4  0.1068  0.4392  0.5000  1
]