data_LiReAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   5.43
_cell_angle_alpha   96.2
_cell_angle_beta   96.2
_cell_angle_gamma   33.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiReAu2
_chemical_formula_sum   'Li1 Re1 Au2'
_cell_volume   65.52
_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  Li2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.22  0.0  0.7  1.0
  Au  Au0  1  0.77  0.0  0.05  1.0
  Au  Au1  1  0.68  0.0  0.34  1.0

data_LiReAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   4.72
_cell_length_c   5.43
_cell_angle_alpha   96.2
_cell_angle_beta   90.0
_cell_angle_gamma   106.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiReAu2
_chemical_formula_sum   'Li1 Re1 Au2'
_cell_volume   65.52
_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  0.0  0.0  0.0  1.0
  Re  Re1  1  0.0  0.78  0.3  1.0
  Au  Au2  1  0.0  0.23  0.95  1.0
  Au  Au3  1  0.0  0.32  0.66  1.0

Li Re Au Au