data_[Li4Nd2Re2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nd  1.1400  1.8500  1.2765
  Re  1.9000  1.3500  0.7125
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.6903]
_cell_length_b [5.2133]
_cell_length_c [5.1751]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Li2NdReN4]
_chemical_formula_sum '[Li4 Nd2 Re2 N8]'
_cell_volume [207.4783]
_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  0.2470  0.7133  0.9900  1.0
  Nd  Nd1  2  0.0000  0.7160  0.4888  1.0
  Re  Re2  2  0.0000  0.1959  0.0009  1.0
  N  N3  4  0.1970  0.3425  0.8673  1.0
  N  N4  2  0.0000  0.2253  0.3554  1.0
  N  N5  2  0.0000  0.8484  0.9402  1.0
]