data_Ga2AuCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.74
_cell_length_b   4.15
_cell_length_c   5.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2AuCl
_chemical_formula_sum   'Ga2 Au1 Cl1'
_cell_volume   84.7
_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  Ga2  1  0.0  0.0  0.73  1.0
  Ga  Ga3  1  0.87  0.08  0.0  1.0
  Au  Au0  1  0.87  0.08  0.73  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_Ga2AuCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.74
_cell_length_b   4.15
_cell_length_c   5.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2AuCl
_chemical_formula_sum   'Ga2 Au1 Cl1'
_cell_volume   84.7
_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  0.73  1.0
  Ga  Ga1  1  0.87  0.08  0.0  1.0
  Au  Au2  1  0.87  0.08  0.73  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

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