data_LiRe2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   4.58
_cell_angle_alpha   126.93
_cell_angle_beta   126.93
_cell_angle_gamma   78.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiRe2Au
_chemical_formula_sum   'Li1 Re2 Au1'
_cell_volume   59.57
_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  0.0  1.0
  Re  Re2  1  0.05  0.0  0.78  1.0
  Re  Re3  1  0.0  0.0  0.55  1.0
  Au  Au0  1  0.0  0.05  0.78  1.0

data_LiRe2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.09
_cell_length_b   4.09
_cell_length_c   4.58
_cell_angle_alpha   116.54
_cell_angle_beta   116.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiRe2Au
_chemical_formula_sum   'Li1 Re2 Au1'
_cell_volume   59.57
_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  0.22  0.0  0.27  1.0
  Re  Re2  1  0.45  0.0  0.45  1.0
  Au  Au3  1  0.27  0.05  0.27  1.0

Li Re Re Au