data_[Zr12Pt4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Pt  2.2800  1.3500  0.8050
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.8938]
_cell_length_b [4.8938]
_cell_length_c [20.0815]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [Zr3PtN]
_chemical_formula_sum '[Zr12 Pt4 N4]'
_cell_volume [480.9348]
_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
[
  Zr  Zr0  8  0.0000  0.2440  0.1205  1
  Zr  Zr1  4  0.0000  0.0000  0.2989  1
  Pt  Pt2  2  0.0000  0.0000  0.0000  1
  Pt  Pt3  2  0.0000  0.5000  0.2500  1
  N  N4  4  0.0000  0.5000  0.6597  1
]