data_AsIr2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   4.71
_cell_angle_alpha   99.55
_cell_angle_beta   99.55
_cell_angle_gamma   34.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsIr2Ru
_chemical_formula_sum   'As1 Ir2 Ru1'
_cell_volume   59.23
_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
  As  As0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.6  0.0  0.2  1.0
  Ir  Ir2  1  0.63  0.0  0.43  1.0
  Ru  Ru3  1  0.11  0.0  0.32  1.0

data_AsIr2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.71
_cell_length_c   4.74
_cell_angle_alpha   99.55
_cell_angle_beta   107.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsIr2Ru
_chemical_formula_sum   'As1 Ir2 Ru1'
_cell_volume   59.23
_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
  As  As0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.0  0.2  0.6  1.0
  Ru  Ru2  1  0.0  0.32  0.11  1.0
  Ir  Ir3  1  0.0  0.43  0.63  1.0

As Ir Ir Ru