data_Ir2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ir2Pd
_chemical_formula_sum   'Ir4 Pd2'
_cell_volume   90.59
_cell_formula_units_Z   2
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  0.0  0.0  1.0
  Ir  Ir1  1  0.0  0.0  0.68  1.0
  Ir  Ir2  1  0.0  0.55  0.02  1.0
  Ir  Ir3  1  0.21  0.28  0.34  1.0
  Pd  Pd4  1  0.0  0.55  0.34  1.0
  Pd  Pd5  1  0.21  0.28  0.02  1.0

data_Ir2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ir2Pd
_chemical_formula_sum   'Ir4 Pd2'
_cell_volume   90.59
_cell_formula_units_Z   2
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  0.0  0.0  1.0
  Ir  Ir1  1  0.0  0.0  0.68  1.0
  Ir  Ir2  1  0.0  0.55  0.02  1.0
  Pd  Pd3  1  0.0  0.55  0.34  1.0
  Pd  Pd4  1  0.21  0.28  0.02  1.0
  Ir  Ir5  1  0.21  0.28  0.34  1.0

Ir Ir Ir Ir Pd Pd
Ir Ir Ir Ir Pd Pd 0 5 o o o 0 1 o o - 0 2 o - o 0 3 o o o 1 3 o o o 1 5 o o + 2 5 o o o 2 4 o o o 3 4 o o o 3 5 o o o 