data_[Ba12Bi2Pt4Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Bi  2.0200  1.6000  1.0350
  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 [20.8376]
_cell_length_b [4.7079]
_cell_length_c [9.6627]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3232]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba6BiPt2Cl3]
_chemical_formula_sum '[Ba12 Bi2 Pt4 Cl6]'
_cell_volume [914.2208]
_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  0.0097  0.0000  0.2583  1.0
  Ba  Ba1  4  0.1703  0.5000  0.1108  1.0
  Ba  Ba2  4  0.1754  0.5000  0.5676  1.0
  Bi  Bi3  2  0.0000  0.5000  0.0000  1.0
  Pt  Pt4  4  0.1693  0.0000  0.3386  1.0
  Cl  Cl5  4  0.1643  0.0000  0.8356  1.0
  Cl  Cl6  2  0.0000  0.5000  0.5000  1.0
]