data_[Nb12Pt4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Pt  2.2800  1.3500  0.8050
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.4351]
_cell_length_b [4.3459]
_cell_length_c [8.1732]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.2998]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nb3PtN]
_chemical_formula_sum '[Nb12 Pt4 N4]'
_cell_volume [300.4411]
_cell_formula_units_Z [4]
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
[
  Nb  Nb0  4  0.1221  0.5000  0.9301  1.0
  Nb  Nb1  4  0.1300  0.0000  0.2000  1.0
  Nb  Nb2  4  0.1363  0.0000  0.6707  1.0
  Pt  Pt3  4  0.1227  0.5000  0.4374  1.0
  N  N4  4  0.1243  0.0000  0.9305  1.0
]