data_[Ba36Na12Pt6N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  Pt  2.2800  1.3500  0.8050
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.6291]
_cell_length_b [8.6291]
_cell_length_c [42.7623]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ba6Na2PtN]
_chemical_formula_sum '[Ba36 Na12 Pt6 N6]'
_cell_volume [2757.5659]
_cell_formula_units_Z [6]
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  18  0.0191  0.5096  0.7047  1.0
  Ba  Ba1  18  0.0289  0.5144  0.1278  1.0
  Na  Na2  6  0.0000  0.0000  0.1237  1.0
  Na  Na3  6  0.0000  0.0000  0.2901  1.0
  Pt  Pt4  6  0.0000  0.0000  0.4123  1.0
  N  N5  3  -0.0000  -0.0000  0.5000  1.0
  N  N6  3  0.0000  0.0000  0.0000  1.0
]