data_LiRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.34
_cell_length_b   7.34
_cell_length_c   2.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiRe2
_chemical_formula_sum   'Li3 Re6'
_cell_volume   123.7
_cell_formula_units_Z   3
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  1  0.0  0.24  0.32  1.0
  Li  Li1  1  0.67  0.12  0.32  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.3  0.0  0.32  1.0
  Re  Re4  1  0.85  0.99  0.32  1.0
  Re  Re5  1  0.52  0.37  0.32  1.0
  Re  Re6  1  0.77  0.0  0.0  1.0
  Re  Re7  1  0.61  0.13  0.0  1.0
  Re  Re8  1  0.29  0.23  0.0  1.0

data_LiRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.65
_cell_length_b   7.34
_cell_length_c   7.34
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiRe2
_chemical_formula_sum   'Li3 Re6'
_cell_volume   123.7
_cell_formula_units_Z   3
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  1  0.0  0.0  0.0  1.0
  Li  Li1  1  0.32  -0.0  0.24  1.0
  Li  Li2  1  0.32  0.67  0.12  1.0
  Re  Re3  1  0.0  0.29  0.23  1.0
  Re  Re4  1  0.0  0.61  0.13  1.0
  Re  Re5  1  0.0  0.77  0.0  1.0
  Re  Re6  1  0.32  0.3  0.0  1.0
  Re  Re7  1  0.32  0.52  0.37  1.0
  Re  Re8  1  0.32  0.85  0.99  1.0

Li Li Li Re Re Re Re Re Re