data_IrPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   13.63
_cell_length_c   4.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrPd3
_chemical_formula_sum   'Ir6 Pd18'
_cell_volume   362.31
_cell_formula_units_Z   6
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
  Ir  Ir0  1  0.0  0.82  0.76  1.0
  Ir  Ir1  1  0.0  0.3  0.59  1.0
  Ir  Ir2  1  0.0  0.34  0.59  1.0
  Ir  Ir3  1  0.79  0.0  0.0  1.0
  Ir  Ir4  1  0.79  0.11  0.17  1.0
  Ir  Ir5  1  0.79  0.52  0.17  1.0
  Pd  Pd6  1  0.39  0.27  0.97  1.0
  Pd  Pd7  1  0.39  0.36  0.97  1.0
  Pd  Pd8  1  0.4  0.82  0.4  1.0
  Pd  Pd9  1  0.39  0.0  0.36  1.0
  Pd  Pd10  1  0.4  0.09  0.79  1.0
  Pd  Pd11  1  0.4  0.55  0.79  1.0
  Pd  Pd12  1  0.0  0.0  0.01  1.0
  Pd  Pd13  1  0.0  0.1  0.18  1.0
  Pd  Pd14  1  0.0  0.54  0.18  1.0
  Pd  Pd15  1  0.19  0.27  0.97  1.0
  Pd  Pd16  1  0.19  0.36  0.97  1.0
  Pd  Pd17  1  0.18  0.82  0.4  1.0
  Pd  Pd18  1  0.19  0.0  0.36  1.0
  Pd  Pd19  1  0.18  0.09  0.79  1.0
  Pd  Pd20  1  0.18  0.55  0.79  1.0
  Pd  Pd21  1  0.79  0.82  0.75  1.0
  Pd  Pd22  1  0.79  0.28  0.59  1.0
  Pd  Pd23  1  0.79  0.35  0.59  1.0

data_IrPd3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.76
_cell_length_b   5.58
_cell_length_c   13.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrPd3
_chemical_formula_sum   'Ir6 Pd18'
_cell_volume   362.31
_cell_formula_units_Z   6
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
  Ir  Ir0  1  0.0  0.79  0.0  1.0
  Pd  Pd1  1  0.01  0.0  0.0  1.0
  Ir  Ir2  1  0.17  0.79  0.11  1.0
  Ir  Ir3  1  0.17  0.79  0.52  1.0
  Pd  Pd4  1  0.18  0.0  0.1  1.0
  Pd  Pd5  1  0.18  0.0  0.54  1.0
  Pd  Pd6  1  0.36  0.19  0.0  1.0
  Pd  Pd7  1  0.36  0.39  0.0  1.0
  Pd  Pd8  1  0.4  0.18  0.82  1.0
  Pd  Pd9  1  0.4  0.4  0.82  1.0
  Pd  Pd10  1  0.59  0.79  0.28  1.0
  Pd  Pd11  1  0.59  0.79  0.35  1.0
  Ir  Ir12  1  0.59  0.0  0.3  1.0
  Ir  Ir13  1  0.59  0.0  0.34  1.0
  Pd  Pd14  1  0.75  0.79  0.82  1.0
  Ir  Ir15  1  0.76  0.0  0.82  1.0
  Pd  Pd16  1  0.79  0.18  0.09  1.0
  Pd  Pd17  1  0.79  0.18  0.55  1.0
  Pd  Pd18  1  0.79  0.4  0.09  1.0
  Pd  Pd19  1  0.79  0.4  0.55  1.0
  Pd  Pd20  1  0.97  0.19  0.27  1.0
  Pd  Pd21  1  0.97  0.19  0.36  1.0
  Pd  Pd22  1  0.97  0.39  0.27  1.0
  Pd  Pd23  1  0.97  0.39  0.36  1.0

Ir Ir Ir Ir Ir Ir Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd