data_[Re8Ni16N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Ni  1.9100  1.3500  0.7400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.2082]
_cell_length_b [7.8215]
_cell_length_c [13.4998]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.4761]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [ReNi2N3]
_chemical_formula_sum '[Re8 Ni16 N24]'
_cell_volume [649.9476]
_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  8  0.2289  0.4476  0.6747  1
  Ni  Ni1  8  0.0701  0.2815  0.9685  1
  Ni  Ni2  8  0.2444  0.0828  0.5105  1
  N  N3  8  0.1986  0.2381  0.6070  1
  N  N4  8  0.2496  0.3887  0.0731  1
  N  N5  4  0.0000  0.0459  0.2500  1
  N  N6  4  0.0000  0.4729  0.7500  1
]