data_[Bi2Mo1O8]
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 [P1]
_cell_length_a [5.6438]
_cell_length_b [5.8361]
_cell_length_c [6.2514]
_cell_angle_alpha [107.2900]
_cell_angle_beta [94.4284]
_cell_angle_gamma [109.5531]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Bi2MoO8]
_chemical_formula_sum '[Bi2 Mo1 O8]'
_cell_volume [181.6592]
_cell_formula_units_Z [1]
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  1  0.3347  0.6316  0.2011  1
  Bi  Bi1  1  0.6286  0.2997  0.7559  1
  Mo  Mo2  1  0.9837  0.9895  0.0003  1
  O  O3  1  0.1700  0.7781  0.9588  1
  O  O4  1  0.1897  0.1792  0.3253  1
  O  O5  1  0.3147  0.2658  0.9216  1
  O  O6  1  0.3497  0.0647  0.4061  1
  O  O7  1  0.5877  0.8762  0.6341  1
  O  O8  1  0.7024  0.7677  0.0650  1
  O  O9  1  0.8376  0.8552  0.6672  1
  O  O10  1  0.9013  0.2923  0.0645  1
]