data_[Li4Re2Ge2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Re  1.9000  1.3500  0.7125
  Ge  2.0100  1.2500  0.7700
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [6.3654]
_cell_length_b [5.8305]
_cell_length_c [5.2622]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Li2ReGeN4]
_chemical_formula_sum '[Li4 Re2 Ge2 N8]'
_cell_volume [195.3004]
_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  0.6595  0.9928  1.0
  Re  Re1  2  0.0000  0.1635  0.0003  1.0
  Ge  Ge2  2  0.0000  0.8472  0.4965  1.0
  N  N3  4  0.2499  0.6885  0.4013  1.0
  N  N4  2  0.0000  0.1473  0.3544  1.0
  N  N5  2  0.0000  0.8719  0.8607  1.0
]