data_Li2PdAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   4.79
_cell_angle_alpha   103.39
_cell_angle_beta   103.39
_cell_angle_gamma   38.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2PdAu
_chemical_formula_sum   'Li2 Pd1 Au1'
_cell_volume   60.48
_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  0.28  0.0  0.52  1.0
  Li  Li2  1  0.2  0.0  0.13  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.74  0.0  0.32  1.0

data_Li2PdAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   4.58
_cell_length_c   4.79
_cell_angle_alpha   103.39
_cell_angle_beta   90.0
_cell_angle_gamma   109.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2PdAu
_chemical_formula_sum   'Li2 Pd1 Au1'
_cell_volume   60.48
_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  0.72  0.48  1.0
  Li  Li1  1  0.0  0.8  0.87  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.0  0.26  0.68  1.0

Li Li Pd Au