data_[Pm3Pt3N3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Pt  2.2800  1.3500  0.8050
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.9327]
_cell_length_b [3.9327]
_cell_length_c [11.9415]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [PmPtN]
_chemical_formula_sum '[Pm3 Pt3 N3]'
_cell_volume [159.9433]
_cell_formula_units_Z [3]
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
[
  Pm  Pm0  2  0.0000  0.0000  0.3338  1
  Pm  Pm1  1  0.3333  0.6667  0.0000  1
  Pt  Pt2  2  0.6667  0.3333  0.1872  1
  Pt  Pt3  1  0.6667  0.3333  0.5000  1
  N  N4  2  0.3333  0.6667  0.2239  1
  N  N5  1  0.0000  0.0000  0.0000  1
]