data_[Re4N8]
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 [C2/m]
_cell_length_a [6.8189]
_cell_length_b [2.8206]
_cell_length_c [5.7354]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.1647]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ReN2]
_chemical_formula_sum '[Re4 N8]'
_cell_volume [109.6736]
_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
[
  Re  Re0  4  0.1747  0.5000  0.2307  1
  N  N1  4  0.0969  0.0000  0.4712  1
  N  N2  4  0.1267  0.5000  0.8646  1
]