data_[Ba12Cr6Mo3W3O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cr  1.6600  1.4000  0.9400
  Mo  2.1600  1.4500  0.7750
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.7714]
_cell_length_b [5.7714]
_cell_length_c [28.5053]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ba4Cr2MoWO12]
_chemical_formula_sum '[Ba12 Cr6 Mo3 W3 O36]'
_cell_volume [822.2852]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1227  1.0
  Ba  Ba1  6  0.0000  0.0000  0.3728  1.0
  Cr  Cr2  6  0.0000  0.0000  0.2511  1.0
  Mo  Mo3  3  0.0000  0.0000  0.0000  1.0
  W  W4  3  -0.0000  -0.0000  0.5000  1.0
  O  O5  18  0.0009  0.5004  0.3769  1.0
  O  O6  18  0.0104  0.5052  0.1271  1.0
]