data_Ir3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   9.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ir3Pd
_chemical_formula_sum   'Ir12 Pd4'
_cell_volume   236.32
_cell_formula_units_Z   4
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  0.62  0.38  0.0  1.0
  Ir  Ir1  1  0.62  0.38  0.51  1.0
  Ir  Ir2  1  0.0  0.58  0.76  1.0
  Ir  Ir3  1  0.62  0.97  0.76  1.0
  Ir  Ir4  1  0.37  0.79  0.25  1.0
  Ir  Ir5  1  0.75  0.0  0.0  1.0
  Ir  Ir6  1  0.75  0.0  0.51  1.0
  Ir  Ir7  1  0.38  0.38  0.0  1.0
  Ir  Ir8  1  0.38  0.38  0.51  1.0
  Ir  Ir9  1  0.38  0.97  0.76  1.0
  Ir  Ir10  1  0.13  0.79  0.25  1.0
  Ir  Ir11  1  0.75  0.18  0.25  1.0
  Pd  Pd12  1  0.0  0.0  0.0  1.0
  Pd  Pd13  1  0.0  0.0  0.51  1.0
  Pd  Pd14  1  0.0  0.18  0.25  1.0
  Pd  Pd15  1  0.75  0.59  0.76  1.0

data_Ir3Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   9.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ir3Pd
_chemical_formula_sum   'Ir12 Pd4'
_cell_volume   236.32
_cell_formula_units_Z   4
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
  Pd  Pd0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.0  0.0  0.51  1.0
  Pd  Pd2  1  0.0  0.18  0.25  1.0
  Ir  Ir3  1  0.0  0.58  0.76  1.0
  Ir  Ir4  1  0.13  0.79  0.25  1.0
  Ir  Ir5  1  0.37  0.79  0.25  1.0
  Ir  Ir6  1  0.38  0.38  -0.0  1.0
  Ir  Ir7  1  0.38  0.38  0.51  1.0
  Ir  Ir8  1  0.38  0.97  0.76  1.0
  Ir  Ir9  1  0.62  0.97  0.76  1.0
  Ir  Ir10  1  0.62  0.38  -0.0  1.0
  Ir  Ir11  1  0.62  0.38  0.51  1.0
  Ir  Ir12  1  0.75  0.0  -0.0  1.0
  Ir  Ir13  1  0.75  0.0  0.51  1.0
  Ir  Ir14  1  0.75  0.18  0.25  1.0
  Pd  Pd15  1  0.75  0.59  0.76  1.0

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