data_[Ba12P2Pt4Cl4]
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 [8.1341]
_cell_length_b [13.8441]
_cell_length_c [8.0985]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5945]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba6P(PtCl)2]
_chemical_formula_sum '[Ba12 P2 Pt4 Cl4]'
_cell_volume [859.1517]
_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  0.2424  0.1664  0.7285  1.0
  Ba  Ba1  4  0.2427  0.5000  0.7195  1.0
  P  P2  2  0.0000  0.0000  0.5000  1.0
  Pt  Pt3  4  0.0000  0.3304  0.5000  1.0
  Cl  Cl4  4  0.0000  0.1621  0.0000  1.0
]