data_[Bi6Mo6]
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 [Pmmn]
_cell_length_a [4.4405]
_cell_length_b [9.5932]
_cell_length_c [6.9860]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [BiMo]
_chemical_formula_sum '[Bi6 Mo6]'
_cell_volume [297.5972]
_cell_formula_units_Z [6]
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  0.0000  0.1784  0.3274  1
  Bi  Bi1  2  0.0000  0.5000  0.0506  1
  Mo  Mo2  4  0.0000  0.2121  0.9021  1
  Mo  Mo3  2  0.0000  0.0000  0.6836  1
]