data_LiAu2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.85
_cell_length_b   6.85
_cell_length_c   3.49
_cell_angle_alpha   104.71
_cell_angle_beta   104.71
_cell_angle_gamma   134.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAu2Cl
_chemical_formula_sum   'Li1 Au2 Cl1'
_cell_volume   88.03
_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  Li3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.18  0.16  0.32  1.0
  Au  Au1  1  0.18  0.84  0.32  1.0
  Cl  Cl2  1  0.65  0.0  0.0  1.0

data_LiAu2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   4.0
_cell_length_c   6.85
_cell_angle_alpha   106.91
_cell_angle_beta   104.71
_cell_angle_gamma   90.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAu2Cl
_chemical_formula_sum   'Li1 Au2 Cl1'
_cell_volume   88.03
_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
  Au  Au1  1  0.16  0.84  0.02  1.0
  Au  Au2  1  0.47  0.16  0.34  1.0
  Cl  Cl3  1  -0.0  0.0  0.65  1.0

Li Au Au Cl