data_[Li4Tm2Re2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tm  1.2500  1.7500  1.0950
  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 [7.0031]
_cell_length_b [5.9314]
_cell_length_c [5.1188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Li2TmReN4]
_chemical_formula_sum '[Li4 Tm2 Re2 N8]'
_cell_volume [212.6266]
_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  0.2489  0.3361  0.4855  1.0
  Tm  Tm1  2  0.0000  0.8310  0.4720  1.0
  Re  Re2  2  0.0000  0.1843  0.0013  1.0
  N  N3  4  0.2176  0.3266  0.8909  1.0
  N  N4  2  0.0000  0.1879  0.3566  1.0
  N  N5  2  0.0000  0.8800  0.9171  1.0
]