data_[Hf12Pt4N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  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 [5.8973]
_cell_length_b [6.3977]
_cell_length_c [10.5894]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.0085]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Hf6Pt2N]
_chemical_formula_sum '[Hf12 Pt4 N2]'
_cell_volume [342.4336]
_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
[
  Hf  Hf0  4  0.1396  0.1914  0.4516  1.0
  Hf  Hf1  4  0.2791  0.6919  0.4516  1.0
  Hf  Hf2  4  0.3769  0.0122  0.2558  1.0
  Pt  Pt3  4  0.1794  0.0990  0.7422  1.0
  N  N4  2  0.5000  0.0000  0.5000  1.0
]