data_Cr2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   5.71
_cell_angle_alpha   104.9
_cell_angle_beta   104.9
_cell_angle_gamma   32.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2Au
_chemical_formula_sum   'Cr4 Au2'
_cell_volume   84.69
_cell_formula_units_Z   2
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  0.1  0.0  0.67  1.0
  Cr  Cr3  1  0.69  0.0  0.84  1.0
  Cr  Cr4  1  0.61  0.0  0.32  1.0
  Cr  Cr5  1  0.18  0.0  0.19  1.0
  Au  Au0  1  0.22  0.0  0.23  1.0
  Au  Au1  1  0.57  0.0  0.27  1.0

data_Cr2Au
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.98
_cell_length_b   5.37
_cell_length_c   5.71
_cell_angle_alpha   104.9
_cell_angle_beta   90.0
_cell_angle_gamma   106.11
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Cr2Au
_chemical_formula_sum   'Cr4 Au2'
_cell_volume   84.69
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.21  0.92  1.0
  Cr  Cr1  2  0.0  0.28  0.43  1.0
  Au  Au2  2  0.0  0.32  0.48  1.0

Cr Cr Cr Cr Au Au
Cr Cr Cr Cr Au Au 0 5 - o o 0 2 - o o 0 0 + - o 0 1 - o o 0 1 o o o 0 4 o o o 0 4 o o + 0 3 o o o 0 3 o o + 1 5 o o o 1 5 o o + 1 2 o o o 1 2 o o + 1 1 + - o 1 4 + o + 1 3 + o + 2 5 o o o 3 4 o o o 