data_[Li4Nb2Re2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nb  1.6000  1.4500  0.8200
  Re  1.9000  1.3500  0.7125
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.2752]
_cell_length_b [7.0164]
_cell_length_c [6.1122]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Li2NbReN4]
_chemical_formula_sum '[Li4 Nb2 Re2 N8]'
_cell_volume [183.3438]
_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
[
  Li  Li0  4  0.0000  0.2486  0.6517  1
  Nb  Nb1  2  0.0000  0.0000  0.1585  1
  Re  Re2  2  0.0000  0.5000  0.1628  1
  N  N3  4  0.0000  0.2620  0.3036  1
  N  N4  2  0.0000  0.0000  0.8382  1
  N  N5  2  0.0000  0.5000  0.8393  1
]