data_[Ba12Pt2N4Cl6]
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 [7.4215]
_cell_length_b [12.9417]
_cell_length_c [8.1069]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8517]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba6PtN2Cl3]
_chemical_formula_sum '[Ba12 Pt2 N4 Cl6]'
_cell_volume [741.1519]
_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  0.2465  0.3185  0.7983  1.0
  Ba  Ba1  4  0.2071  0.5000  0.2018  1.0
  Pt  Pt2  2  0.0000  0.0000  0.0000  1.0
  N  N3  4  0.0000  0.3336  0.0000  1.0
  Cl  Cl4  4  0.0000  0.1643  0.5000  1.0
  Cl  Cl5  2  0.0000  0.5000  0.5000  1.0
]