data_[Li4Mn2Re2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mn  1.5500  1.4000  0.6483
  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 [6.4332]
_cell_length_b [5.7606]
_cell_length_c [5.2114]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Li2MnReN4]
_chemical_formula_sum '[Li4 Mn2 Re2 N8]'
_cell_volume [193.1304]
_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  0.2481  0.1672  0.9914  1.0
  Mn  Mn1  2  0.0000  0.6739  0.9973  1.0
  Re  Re2  2  0.0000  0.3421  0.5007  1.0
  N  N3  4  0.2384  0.1860  0.4041  1.0
  N  N4  2  0.0000  0.3673  0.8498  1.0
  N  N5  2  0.0000  0.6365  0.3612  1.0
]