data_[Re2N4]
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 [2.9219]
_cell_length_b [4.8118]
_cell_length_c [5.6051]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.2022]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [ReN2]
_chemical_formula_sum '[Re2 N4]'
_cell_volume [68.1072]
_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  0.1146  0.2490  0.9859  1.0
  N  N1  2  0.4890  0.4542  0.7959  1.0
  N  N2  2  0.9263  0.0395  0.2072  1.0
]