data_[Li4Re2Mo2N8]
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
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [6.6627]
_cell_length_b [5.8745]
_cell_length_c [4.9933]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Li2ReMoN4]
_chemical_formula_sum '[Li4 Re2 Mo2 N8]'
_cell_volume [195.4398]
_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  0.2408  0.6513  0.9821  1
  Re  Re1  2  0.0000  0.1582  0.0175  1
  Mo  Mo2  2  0.0000  0.8492  0.4590  1
  N  N3  4  0.2413  0.3002  0.9087  1
  N  N4  2  0.0000  0.1791  0.3940  1
  N  N5  2  0.0000  0.8686  0.8478  1
]