data_GaAuCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   3.69
_cell_angle_alpha   107.98
_cell_angle_beta   107.98
_cell_angle_gamma   91.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaAuCl2
_chemical_formula_sum   'Ga1 Au1 Cl2'
_cell_volume   95.39
_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
  Ga  Ga3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.76  0.0  0.0  1.0
  Cl  Cl1  1  0.06  0.92  0.65  1.0
  Cl  Cl2  1  0.06  0.08  0.65  1.0

data_GaAuCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   5.37
_cell_length_c   5.37
_cell_angle_alpha   91.24
_cell_angle_beta   107.98
_cell_angle_gamma   107.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaAuCl2
_chemical_formula_sum   'Ga1 Au1 Cl2'
_cell_volume   95.39
_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
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Au  Au1  1  -0.0  0.76  0.0  1.0
  Cl  Cl2  1  0.65  0.06  0.08  1.0
  Cl  Cl3  1  0.65  0.06  0.92  1.0

Ga Au Cl Cl
Ga Au Cl Cl 0 1 - o o 0 2 o - - 0 3 o o - 2 3 o + o 