data_[Ba4W4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.1294]
_cell_length_b [12.7320]
_cell_length_c [5.7082]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.6463]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BaWO4]
_chemical_formula_sum '[Ba4 W4 O16]'
_cell_volume [420.3442]
_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  0.1263  0.7500  1
  W  W1  4  0.0000  0.3790  0.2500  1
  O  O2  8  0.1339  0.2985  0.6098  1
  O  O3  8  0.2259  0.4569  0.3354  1
]