data_Li2ReAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   151.89
_cell_angle_beta   129.88
_cell_angle_gamma   58.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2ReAu
_chemical_formula_sum   'Li2 Re1 Au1'
_cell_volume   58.31
_cell_formula_units_Z   1
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  Li1  1  0.0  0.0  0.48  1.0
  Li  Li2  1  0.32  0.0  0.3  1.0
  Re  Re3  1  0.0  0.0  0.79  1.0
  Au  Au0  1  0.0  0.31  0.48  1.0

data_Li2ReAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.65
_cell_length_b   4.62
_cell_length_c   5.46
_cell_angle_alpha   115.06
_cell_angle_beta   104.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2ReAu
_chemical_formula_sum   'Li2 Re1 Au1'
_cell_volume   58.31
_cell_formula_units_Z   1
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  0.03  0.7  0.03  1.0
  Li  Li1  1  0.52  0.52  0.52  1.0
  Re  Re2  1  0.21  0.21  0.21  1.0
  Au  Au3  1  0.52  0.83  0.83  1.0

Li Li Re Au