data_As2IrRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   4.85
_cell_angle_alpha   103.22
_cell_angle_beta   103.22
_cell_angle_gamma   46.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As2IrRu
_chemical_formula_sum   'As2 Ir1 Ru1'
_cell_volume   65.66
_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  1.0  0.0  0.69  1.0
  As  As1  1  0.11  0.0  0.38  1.0
  Ir  Ir2  1  0.48  0.0  0.45  1.0
  Ru  Ru3  1  0.73  0.0  0.53  1.0

data_As2IrRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   4.4
_cell_length_c   4.85
_cell_angle_alpha   103.22
_cell_angle_beta   90.0
_cell_angle_gamma   113.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As2IrRu
_chemical_formula_sum   'As2 Ir1 Ru1'
_cell_volume   65.66
_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  0.31  1.0
  As  As1  1  0.0  0.89  0.62  1.0
  Ru  Ru2  1  0.0  0.27  0.47  1.0
  Ir  Ir3  1  0.0  0.52  0.55  1.0

As As Ir Ru