data_CrAu2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34
_cell_length_b   5.74
_cell_length_c   4.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrAu2Cl
_chemical_formula_sum   'Cr1 Au2 Cl1'
_cell_volume   81.23
_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
  Cr  Cr3  1  0.66  0.0  0.12  1.0
  Au  Au0  1  0.49  0.87  0.07  1.0
  Au  Au1  1  0.83  0.87  0.16  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

data_CrAu2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   4.23
_cell_length_c   5.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrAu2Cl
_chemical_formula_sum   'Cr1 Au2 Cl1'
_cell_volume   81.23
_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
  Cr  Cr0  1  0.34  0.88  0.0  1.0
  Au  Au1  1  0.17  0.84  0.13  1.0
  Au  Au2  1  0.51  0.93  0.13  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Cr Au Au Cl