data_LiAuCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.1
_cell_length_b   6.72
_cell_length_c   4.15
_cell_angle_alpha   90.0
_cell_angle_beta   113.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAuCl2
_chemical_formula_sum   'Li1 Au1 Cl2'
_cell_volume   104.53
_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  0.26  0.0  0.93  1.0
  Au  Au0  1  0.77  0.36  0.81  1.0
  Cl  Cl1  1  0.27  0.0  0.59  1.0
  Cl  Cl2  1  0.44  0.36  0.35  1.0

data_LiAuCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.1
_cell_length_b   4.15
_cell_length_c   6.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAuCl2
_chemical_formula_sum   'Li1 Au1 Cl2'
_cell_volume   104.53
_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  0.74  0.07  0.0  1.0
  Au  Au1  1  0.23  0.19  0.64  1.0
  Cl  Cl2  1  0.56  0.65  0.64  1.0
  Cl  Cl3  1  0.73  0.41  0.0  1.0

Li Au Cl Cl
Li Au Cl Cl 0 2 o o o 1 3 o o o 