data_[Ba12Pt4N2Cl6]
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
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7195]
_cell_length_b [13.3799]
_cell_length_c [8.2301]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2777]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba6Pt2NCl3]
_chemical_formula_sum '[Ba12 Pt4 N2 Cl6]'
_cell_volume [807.1651]
_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  0.2214  0.1511  0.2094  1.0
  Ba  Ba1  4  0.2322  0.0000  0.7926  1.0
  Pt  Pt2  4  0.0000  0.3329  0.0000  1.0
  N  N3  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl4  4  0.0000  0.1647  0.5000  1.0
  Cl  Cl5  2  0.0000  0.5000  0.5000  1.0
]