data_[Ba12As4Pt2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  As  2.1800  1.1500  0.6600
  Pt  2.2800  1.3500  0.8050
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.4737]
_cell_length_b [4.7123]
_cell_length_c [9.5320]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8107]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba6As2PtCl3]
_chemical_formula_sum '[Ba12 As4 Pt2 Cl6]'
_cell_volume [893.0482]
_cell_formula_units_Z [2]
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  0.0026  0.0000  0.2342  1.0
  Ba  Ba1  4  0.1567  0.5000  0.0968  1.0
  Ba  Ba2  4  0.1717  0.5000  0.5723  1.0
  As  As3  4  0.1644  0.0000  0.3343  1.0
  Pt  Pt4  2  0.0000  0.5000  0.0000  1.0
  Cl  Cl5  4  0.1699  0.0000  0.8354  1.0
  Cl  Cl6  2  0.0000  0.5000  0.5000  1.0
]