data_[Li8Ho4Re4N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ho  1.2300  1.7500  1.0410
  Re  1.9000  1.3500  0.7125
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [11.0344]
_cell_length_b [6.9622]
_cell_length_c [7.8220]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.4855]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Li2HoReN4]
_chemical_formula_sum '[Li8 Ho4 Re4 N16]'
_cell_volume [457.0352]
_cell_formula_units_Z [4]
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  0.0630  0.4972  0.3161  1.0
  Li  Li1  4  0.2492  0.2563  0.8207  1.0
  Ho  Ho2  4  0.0497  1.0000  0.3119  1.0
  Re  Re3  4  0.2446  0.7466  0.8314  1.0
  N  N4  4  0.0808  0.7245  0.8328  1.0
  N  N5  4  0.0820  0.2676  0.8708  1.0
  N  N6  4  0.2052  0.9773  0.6859  1.0
  N  N7  4  0.2487  0.0325  0.3021  1.0
]