data_[Hf12Pt4N4]
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 [Cm]
_cell_length_a [11.0524]
_cell_length_b [6.0454]
_cell_length_c [5.5454]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0915]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Hf3PtN]
_chemical_formula_sum '[Hf12 Pt4 N4]'
_cell_volume [343.3223]
_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
[
  Hf  Hf0  4  0.0658  0.2480  0.6415  1
  Hf  Hf1  4  0.3479  0.2500  0.0393  1
  Hf  Hf2  2  0.1221  0.5000  0.1838  1
  Hf  Hf3  2  0.2969  0.0000  0.4971  1
  Pt  Pt4  2  0.0697  0.0000  0.1153  1
  Pt  Pt5  2  0.3435  0.5000  0.5840  1
  N  N6  2  0.2251  0.0000  0.7907  1
  N  N7  2  0.4570  0.0000  0.3335  1
]