data_[Ba12Ag4Pt2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ag  1.9300  1.6000  1.0867
  Pt  2.2800  1.3500  0.8050
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.8352]
_cell_length_b [8.4865]
_cell_length_c [13.8842]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2324]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba6Ag2PtN]
_chemical_formula_sum '[Ba12 Ag4 Pt2 N2]'
_cell_volume [763.2685]
_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  4  0.1293  0.5249  0.2338  1.0
  Ba  Ba1  4  0.2273  0.2072  0.0530  1.0
  Ba  Ba2  4  0.3454  0.6783  0.0503  1.0
  Ag  Ag3  4  0.2864  0.5873  0.7501  1.0
  Pt  Pt4  2  0.5000  0.0000  0.0000  1.0
  N  N5  2  0.0000  0.0000  0.5000  1.0
]