data_[Ba4Pt1S1Cl2]
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
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.0598]
_cell_length_b [4.5150]
_cell_length_c [8.1227]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4828]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba4PtSCl2]
_chemical_formula_sum '[Ba4 Pt1 S1 Cl2]'
_cell_volume [283.4381]
_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
[
  Ba  Ba0  2  0.2475  0.0000  0.7195  1
  Ba  Ba1  2  0.2632  0.5000  0.2739  1
  Pt  Pt2  1  0.5000  0.0000  0.5000  1
  S  S3  1  0.0000  0.5000  0.5000  1
  Cl  Cl4  1  0.0000  0.0000  0.0000  1
  Cl  Cl5  1  0.5000  0.5000  0.0000  1
]