data_Cr2IrAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   2.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2IrAu
_chemical_formula_sum   'Cr2 Ir1 Au1'
_cell_volume   55.55
_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  Cr1  1  0.33  0.07  0.35  1.0
  Cr  Cr2  1  0.33  0.93  0.35  1.0
  Ir  Ir3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.67  0.0  0.0  1.0

data_Cr2IrAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   4.68
_cell_length_c   4.68
_cell_angle_alpha   110.61
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2IrAu
_chemical_formula_sum   'Cr2 Ir1 Au1'
_cell_volume   55.55
_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  0.35  0.33  0.07  1.0
  Cr  Cr1  1  0.35  0.33  0.93  1.0
  Ir  Ir2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.0  0.67  0.0  1.0

Cr Cr Ir Au
Cr Cr Ir Au 0 1 o - o 0 2 o o o 1 3 o + o 2 3 - o o 