data_[Ba4Bi8Mo16O64]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [C2/c]
_cell_length_a [5.3990]
_cell_length_b [13.0538]
_cell_length_c [19.6988]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4107]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BaBi2(MoO4)4]
_chemical_formula_sum '[Ba4 Bi8 Mo16 O64]'
_cell_volume [1387.9102]
_cell_formula_units_Z [4]
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
[
  Ba  Ba0  4  0.0000  0.0300  0.7500  1
  Bi  Bi1  8  0.0022  0.1494  0.9623  1
  Mo  Mo2  8  0.0045  0.2609  0.3484  1
  Mo  Mo3  8  0.0185  0.4412  0.5921  1
  O  O4  8  0.1175  0.4176  0.8303  1
  O  O5  8  0.1197  0.1417  0.3221  1
  O  O6  8  0.1532  0.3271  0.5492  1
  O  O7  8  0.1627  0.2461  0.0700  1
  O  O8  8  0.2091  0.3071  0.2127  1
  O  O9  8  0.2345  0.1487  0.6376  1
  O  O10  8  0.2370  0.5154  0.4640  1
  O  O11  8  0.2458  0.4581  0.1070  1
]