data_[Re3Pt3N3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Pt  2.2800  1.3500  0.8050
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [2.7961]
_cell_length_b [2.7961]
_cell_length_c [16.9362]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [RePtN]
_chemical_formula_sum '[Re3 Pt3 N3]'
_cell_volume [114.6710]
_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
[
  Re  Re0  3  0.0000  0.0000  0.1365  1.0
  Pt  Pt1  3  0.0000  0.0000  0.6063  1.0
  N  N2  3  0.0000  0.0000  0.7286  1.0
]