data_Cr2AuCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   3.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2AuCl
_chemical_formula_sum   'Cr2 Au1 Cl1'
_cell_volume   73.03
_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  Cr2  1  0.0  0.4  0.59  1.0
  Cr  Cr3  1  0.4  0.0  0.59  1.0
  Au  Au0  1  0.4  0.4  0.0  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_Cr2AuCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.78
_cell_length_b   6.78
_cell_length_c   3.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cr2AuCl
_chemical_formula_sum   'Cr4 Au2 Cl2'
_cell_volume   146.05
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.2  0.2  0.59  1.0
  Au  Au1  2  0.4  0.0  0.0  1.0
  Cl  Cl2  2  0.0  0.0  0.0  1.0

Cr Cr Au Cl
Cr Cr Au Cl 0 3 o o o 0 3 o o + 0 1 o o o 0 2 o o o 0 2 o o + 1 3 o o o 1 3 o o + 1 2 o o o 1 2 o o + 2 3 o o o 