data_Ni6IrRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.24
_cell_length_b   6.24
_cell_length_c   10.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni6IrRu
_chemical_formula_sum   'Ni24 Ir4 Ru4'
_cell_volume   374.55
_cell_formula_units_Z   4
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
  Ni  Ni4  1  0.6  0.56  0.54  1.0
  Ni  Ni5  1  0.41  0.73  0.82  1.0
  Ni  Ni6  1  0.8  0.27  0.82  1.0
  Ni  Ni7  1  0.6  0.44  0.54  1.0
  Ni  Ni8  1  0.8  0.73  0.82  1.0
  Ni  Ni9  1  0.41  0.27  0.82  1.0
  Ni  Ni10  1  0.6  0.0  0.0  1.0
  Ni  Ni11  1  0.8  0.28  0.27  1.0
  Ni  Ni12  1  0.8  0.72  0.27  1.0
  Ni  Ni13  1  0.6  0.56  0.66  1.0
  Ni  Ni14  1  0.41  0.72  0.93  1.0
  Ni  Ni15  1  0.8  0.28  0.93  1.0
  Ni  Ni16  1  0.6  0.44  0.66  1.0
  Ni  Ni17  1  0.8  0.72  0.93  1.0
  Ni  Ni18  1  0.41  0.28  0.93  1.0
  Ni  Ni19  1  0.6  0.0  0.1  1.0
  Ni  Ni20  1  0.8  0.27  0.38  1.0
  Ni  Ni21  1  0.8  0.73  0.38  1.0
  Ni  Ni22  1  0.0  0.0  0.0  1.0
  Ni  Ni23  1  0.41  0.28  0.27  1.0
  Ni  Ni24  1  0.41  0.72  0.27  1.0
  Ni  Ni25  1  0.0  0.0  0.1  1.0
  Ni  Ni26  1  0.41  0.27  0.38  1.0
  Ni  Ni27  1  0.41  0.73  0.38  1.0
  Ir  Ir0  1  0.6  0.56  0.1  1.0
  Ir  Ir1  1  0.6  0.44  0.1  1.0
  Ir  Ir2  1  0.6  0.0  0.55  1.0
  Ir  Ir3  1  0.6  0.0  0.65  1.0
  Ru  Ru28  1  0.6  0.56  0.0  1.0
  Ru  Ru29  1  0.6  0.44  0.0  1.0
  Ru  Ru30  1  0.0  0.0  0.55  1.0
  Ru  Ru31  1  0.0  0.0  0.64  1.0

data_Ni6IrRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.24
_cell_length_b   6.24
_cell_length_c   10.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni6IrRu
_chemical_formula_sum   'Ni24 Ir4 Ru4'
_cell_volume   374.55
_cell_formula_units_Z   4
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
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.0  0.0  0.1  1.0
  Ni  Ni2  1  0.41  0.27  0.38  1.0
  Ni  Ni3  1  0.41  0.27  0.82  1.0
  Ni  Ni4  1  0.41  0.73  0.38  1.0
  Ni  Ni5  1  0.41  0.73  0.82  1.0
  Ni  Ni6  1  0.41  0.28  0.27  1.0
  Ni  Ni7  1  0.41  0.28  0.93  1.0
  Ni  Ni8  1  0.41  0.72  0.27  1.0
  Ni  Ni9  1  0.41  0.72  0.93  1.0
  Ni  Ni10  1  0.6  0.0  0.0  1.0
  Ni  Ni11  1  0.6  0.0  0.1  1.0
  Ni  Ni12  1  0.6  0.44  0.54  1.0
  Ni  Ni13  1  0.6  0.44  0.66  1.0
  Ni  Ni14  1  0.6  0.56  0.54  1.0
  Ni  Ni15  1  0.6  0.56  0.66  1.0
  Ni  Ni16  1  0.8  0.28  0.27  1.0
  Ni  Ni17  1  0.8  0.28  0.93  1.0
  Ni  Ni18  1  0.8  0.72  0.27  1.0
  Ni  Ni19  1  0.8  0.72  0.93  1.0
  Ni  Ni20  1  0.8  0.27  0.38  1.0
  Ni  Ni21  1  0.8  0.27  0.82  1.0
  Ni  Ni22  1  0.8  0.73  0.38  1.0
  Ni  Ni23  1  0.8  0.73  0.82  1.0
  Ru  Ru24  1  0.0  0.0  0.55  1.0
  Ru  Ru25  1  0.0  0.0  0.64  1.0
  Ir  Ir26  1  0.6  0.0  0.55  1.0
  Ir  Ir27  1  0.6  0.0  0.65  1.0
  Ru  Ru28  1  0.6  0.44  0.0  1.0
  Ir  Ir29  1  0.6  0.44  0.1  1.0
  Ir  Ir30  1  0.6  0.56  0.1  1.0
  Ru  Ru31  1  0.6  0.56  0.0  1.0

Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ir Ir Ir Ir Ru Ru Ru Ru