data_In2IrRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.87
_cell_length_b   8.87
_cell_length_c   8.87
_cell_angle_alpha   19.83
_cell_angle_beta   19.83
_cell_angle_gamma   19.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2IrRu
_chemical_formula_sum   'In2 Ir1 Ru1'
_cell_volume   70.11
_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
  In  In0  1  0.0  0.0  0.54  1.0
  In  In1  1  0.0  0.0  0.52  1.0
  Ir  Ir2  1  0.0  0.0  0.03  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

data_In2IrRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.29
_cell_length_b   3.05
_cell_length_c   8.87
_cell_angle_alpha   90.0
_cell_angle_beta   101.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   In2IrRu
_chemical_formula_sum   'In4 Ir2 Ru2'
_cell_volume   140.22
_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
  In  In0  2  0.0  0.0  0.46  1.0
  In  In1  2  0.0  0.0  0.48  1.0
  Ru  Ru2  2  0.0  0.0  0.0  1.0
  Ir  Ir3  2  0.0  0.0  0.97  1.0

In In Ir Ru
In In Ir Ru 0 1 o o o 2 3 o o o 