data_Cr2IrRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   2.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2IrRu
_chemical_formula_sum   'Cr2 Ir1 Ru1'
_cell_volume   52.27
_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  0.83  0.33  1.0
  Cr  Cr1  1  0.34  0.17  0.33  1.0
  Ir  Ir2  1  0.67  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

data_Cr2IrRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   4.54
_cell_length_c   4.54
_cell_angle_alpha   107.88
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2IrRu
_chemical_formula_sum   'Cr2 Ir1 Ru1'
_cell_volume   52.27
_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  0.33  0.34  0.83  1.0
  Cr  Cr1  1  0.33  0.34  0.17  1.0
  Ir  Ir2  1  -0.0  0.67  0.0  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

Cr Cr Ir Ru