data_LiZnAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   4.86
_cell_angle_alpha   140.47
_cell_angle_beta   140.47
_cell_angle_gamma   57.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZnAu
_chemical_formula_sum   'Li1 Zn1 Au1'
_cell_volume   46.02
_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  0.86  1.0
  Zn  Zn2  1  0.0  0.0  0.71  1.0
  Au  Au0  1  0.0  0.0  0.49  1.0

data_LiZnAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   4.86
_cell_angle_alpha   90.0
_cell_angle_beta   118.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiZnAu
_chemical_formula_sum   'Li2 Zn2 Au2'
_cell_volume   92.05
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.36  0.5  0.86  1.0
  Zn  Zn1  2  0.21  0.5  0.71  1.0
  Au  Au2  2  0.49  0.0  0.49  1.0

Li Zn Au
Li Zn Au 0 1 o o o 1 2 o o o 