data_[Li6Re6]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.7799]
_cell_length_b [2.5406]
_cell_length_c [6.6897]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4111]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiRe]
_chemical_formula_sum '[Li6 Re6]'
_cell_volume [179.5903]
_cell_formula_units_Z [6]
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  2  0.3384  0.0000  0.6467  1
  Li  Li1  2  0.3940  0.0000  0.2984  1
  Li  Li2  2  0.4813  0.5000  0.9902  1
  Re  Re3  2  0.0821  0.0000  0.6272  1
  Re  Re4  2  0.1587  0.5000  0.3068  1
  Re  Re5  2  0.2122  0.5000  0.9640  1
]