data_LiPtAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   3.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiPtAu2
_chemical_formula_sum   'Li1 Pt1 Au2'
_cell_volume   65.31
_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  Li2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.95  0.0  0.0  1.0
  Au  Au0  1  0.47  0.17  0.51  1.0
  Au  Au1  1  0.47  0.83  0.51  1.0

data_LiPtAu2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.7
_cell_length_b   3.03
_cell_length_c   4.7
_cell_angle_alpha   90.0
_cell_angle_beta   102.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   LiPtAu2
_chemical_formula_sum   'Li1 Pt1 Au2'
_cell_volume   65.31
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Pt  Pt1  1  0.95  0.0  0.0  1.0
  Au  Au2  1  0.47  0.5  0.17  1.0
  Au  Au3  1  0.47  0.5  0.83  1.0

Li Pt Au Au
Li Pt Au Au 0 1 - o o 2 3 o - o 