data_[Zr6Pt2N2]
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 [Amm2]
_cell_length_a [3.0556]
_cell_length_b [6.7333]
_cell_length_c [12.9738]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Zr3PtN]
_chemical_formula_sum '[Zr6 Pt2 N2]'
_cell_volume [266.9273]
_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
[
  Zr  Zr0  4  0.5000  0.2256  0.5694  1
  Zr  Zr1  2  0.0000  0.0000  0.7486  1
  Pt  Pt2  2  0.5000  0.0000  0.9242  1
  N  N3  2  0.0000  0.0000  0.5603  1
]