data_[Re6N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [7.6147]
_cell_length_b [7.6147]
_cell_length_c [19.7911]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [ReN2]
_chemical_formula_sum '[Re6 N12]'
_cell_volume [993.8257]
_cell_formula_units_Z [6]
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  0.3908  0.4696  1
  Re  Re1  2  0.3333  0.6667  0.5220  1
  Re  Re2  1  0.0000  0.0000  0.5734  1
  N  N3  6  0.0924  0.6716  0.4173  1
  N  N4  3  0.0000  0.2212  0.5323  1
  N  N5  2  0.3333  0.6667  0.6068  1
  N  N6  1  0.0000  0.0000  0.6594  1
]