data_[Cu1Bi1Mo2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  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 [5.1040]
_cell_length_b [6.1064]
_cell_length_c [6.2504]
_cell_angle_alpha [109.6818]
_cell_angle_beta [92.1688]
_cell_angle_gamma [113.0642]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CuBi(MoO4)2]
_chemical_formula_sum '[Cu1 Bi1 Mo2 O8]'
_cell_volume [165.4914]
_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
[
  Cu  Cu0  1  0.8442  0.8907  0.7739  1.0
  Bi  Bi1  1  0.3628  0.9018  0.2901  1.0
  Mo  Mo2  1  0.1195  0.4286  0.6245  1.0
  Mo  Mo3  1  0.6041  0.3750  0.9551  1.0
  O  O4  1  0.3261  0.2079  0.6268  1.0
  O  O5  1  0.3660  0.1547  0.0681  1.0
  O  O6  1  0.3684  0.6530  0.5179  1.0
  O  O7  1  0.3959  0.5950  0.9555  1.0
  O  O8  1  0.8177  0.1946  0.8120  1.0
  O  O9  1  0.8633  0.6300  0.2109  1.0
  O  O10  1  0.8666  0.1762  0.3660  1.0
  O  O11  1  0.9040  0.6082  0.7634  1.0
]