data_[Li4Fe2Re2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Fe  1.8300  1.4000  0.8525
  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 [6.4213]
_cell_length_b [5.7735]
_cell_length_c [5.2570]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Li2FeReN4]
_chemical_formula_sum '[Li4 Fe2 Re2 N8]'
_cell_volume [194.8960]
_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  0.2499  0.6672  0.9929  1.0
  Fe  Fe1  2  0.0000  0.1698  0.9972  1.0
  Re  Re2  2  0.0000  0.8370  0.5008  1.0
  N  N3  4  0.2388  0.6828  0.4013  1.0
  N  N4  2  0.0000  0.1294  0.3657  1.0
  N  N5  2  0.0000  0.8606  0.8478  1.0
]