data_[Re8N16]
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 [Pc]
_cell_length_a [19.9359]
_cell_length_b [5.3038]
_cell_length_c [7.0476]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [ReN2]
_chemical_formula_sum '[Re8 N16]'
_cell_volume [745.1891]
_cell_formula_units_Z [8]
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  2  0.4003  0.3894  0.6720  1
  Re  Re1  2  0.4177  0.0840  0.3261  1
  Re  Re2  2  0.5791  0.4839  0.9227  1
  Re  Re3  2  0.5923  0.0208  0.0801  1
  N  N4  2  0.3722  0.4221  0.3892  1
  N  N5  2  0.3804  0.0293  0.5871  1
  N  N6  2  0.4942  0.4954  0.1008  1
  N  N7  2  0.4979  0.4156  0.7644  1
  N  N8  2  0.5106  0.0653  0.2302  1
  N  N9  2  0.5198  0.1388  0.4110  1
  N  N10  2  0.6159  0.3677  0.1851  1
  N  N11  2  0.6198  0.1520  0.8314  1
]