data_GaAuCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.64
_cell_length_b   3.89
_cell_length_c   6.85
_cell_angle_alpha   90.0
_cell_angle_beta   98.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaAuCl2
_chemical_formula_sum   'Ga1 Au1 Cl2'
_cell_volume   96.11
_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  0.31  0.0  0.39  1.0
  Cl  Cl1  1  0.66  0.95  0.02  1.0
  Cl  Cl2  1  0.97  0.95  0.76  1.0

data_GaAuCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   3.89
_cell_length_c   6.85
_cell_angle_alpha   90.0
_cell_angle_beta   98.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaAuCl2
_chemical_formula_sum   'Ga1 Au1 Cl2'
_cell_volume   96.11
_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  0.31  0.0  0.39  1.0
  Cl  Cl2  1  0.66  0.95  0.02  1.0
  Cl  Cl3  1  0.97  0.95  0.76  1.0

Ga Au Cl Cl