data_In2IrPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08
_cell_length_b   4.29
_cell_length_c   5.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2IrPd
_chemical_formula_sum   'In2 Ir1 Pd1'
_cell_volume   74.14
_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  0.54  0.15  0.31  1.0
  In  In1  1  0.0  0.0  0.73  1.0
  Ir  Ir2  1  0.54  0.15  0.53  1.0
  Pd  Pd3  1  0.0  0.0  0.45  1.0

data_In2IrPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.29
_cell_length_c   5.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2IrPd
_chemical_formula_sum   'In2 Ir1 Pd1'
_cell_volume   74.14
_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  0.73  1.0
  In  In1  1  0.54  0.15  0.31  1.0
  Pd  Pd2  1  0.0  0.0  0.45  1.0
  Ir  Ir3  1  0.54  0.15  0.53  1.0

In In Ir Pd
In In Ir Pd 0 2 o o o 0 3 + o o 0 3 o o o 1 3 o o o 2 3 + o o 2 3 o o o 