data_[Ba12P2Pt4Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  P  2.1900  1.0000  0.5500
  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 [7.9698]
_cell_length_b [13.8210]
_cell_length_c [8.3500]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5975]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba6PPt2Cl3]
_chemical_formula_sum '[Ba12 P2 Pt4 Cl6]'
_cell_volume [871.7325]
_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  8  0.2408  0.1670  0.2225  1.0
  Ba  Ba1  4  0.2400  0.5000  0.2223  1.0
  P  P2  2  0.0000  0.0000  0.0000  1.0
  Pt  Pt3  4  0.0000  0.3331  0.0000  1.0
  Cl  Cl4  4  0.0000  0.1623  0.5000  1.0
  Cl  Cl5  2  0.0000  0.5000  0.5000  1.0
]