data_AsIr2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   2.76
_cell_length_c   9.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsIr2Ru
_chemical_formula_sum   'As1 Ir2 Ru1'
_cell_volume   61.21
_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  0.37  0.0  0.37  1.0
  Ir  Ir2  1  0.37  0.0  0.96  1.0
  Ru  Ru3  1  0.0  0.0  0.67  1.0

data_AsIr2Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.76
_cell_length_b   4.76
_cell_length_c   9.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AsIr2Ru
_chemical_formula_sum   'As2 Ir4 Ru2'
_cell_volume   122.43
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Ru  Ru1  2  0.0  0.0  0.33  1.0
  Ir  Ir2  2  0.13  0.5  0.04  1.0
  Ir  Ir3  2  0.13  0.5  0.63  1.0

As Ir Ir Ru