data_CrIrRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   4.65
_cell_angle_alpha   146.5
_cell_angle_beta   132.69
_cell_angle_gamma   59.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrIrRu
_chemical_formula_sum   'Cr1 Ir1 Ru1'
_cell_volume   40.39
_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  0.0  0.0  0.08  1.0
  Ir  Ir1  1  0.0  0.0  0.35  1.0
  Ru  Ru2  1  0.0  0.0  0.73  1.0

data_CrIrRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   3.73
_cell_length_c   4.65
_cell_angle_alpha   113.65
_cell_angle_beta   106.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrIrRu
_chemical_formula_sum   'Cr1 Ir1 Ru1'
_cell_volume   40.39
_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  0.92  0.92  0.92  1.0
  Ru  Ru1  1  0.27  0.27  0.27  1.0
  Ir  Ir2  1  0.65  0.65  0.65  1.0

Cr Ir Ru
Cr Ir Ru 0 1 o o o 0 2 o o - 1 2 o o o 