data_[Re2Ni4N6]
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 [Amm2]
_cell_length_a [19.8382]
_cell_length_b [3.2396]
_cell_length_c [5.6730]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [ReNi2N3]
_chemical_formula_sum '[Re2 Ni4 N6]'
_cell_volume [364.5992]
_cell_formula_units_Z [2]
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  0.5000  0.0000  0.7694  1
  Ni  Ni1  4  0.3781  0.0000  0.4162  1
  N  N2  4  0.3951  0.0000  0.7487  1
  N  N3  2  0.5000  0.0000  0.0988  1
]