data_[Ba3Pt3W6S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pt  2.2800  1.3500  0.8050
  W  2.3600  1.3500  0.7667
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.0869]
_cell_length_b [6.0869]
_cell_length_c [26.8307]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [BaPt(WS4)2]
_chemical_formula_sum '[Ba3 Pt3 W6 S24]'
_cell_volume [860.9107]
_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  3  -0.0000  0.0000  0.5000  1
  Pt  Pt1  3  0.0000  0.0000  0.0000  1
  W  W2  6  0.0000  0.0000  0.2531  1
  S  S3  18  0.0038  0.3467  0.2800  1
  S  S4  6  0.0000  0.0000  0.1708  1
]