data_Na2IrPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.25
_cell_length_b   6.25
_cell_length_c   6.25
_cell_angle_alpha   155.06
_cell_angle_beta   130.71
_cell_angle_gamma   56.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2IrPd
_chemical_formula_sum   'Na2 Ir1 Pd1'
_cell_volume   77.61
_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
  Na  Na1  1  0.0  0.0  0.82  1.0
  Na  Na2  1  0.35  0.0  0.01  1.0
  Ir  Ir0  1  0.0  0.61  0.48  1.0
  Pd  Pd3  1  0.0  0.0  0.76  1.0

data_Na2IrPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   5.21
_cell_length_c   6.25
_cell_angle_alpha   114.64
_cell_angle_beta   102.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2IrPd
_chemical_formula_sum   'Na2 Ir1 Pd1'
_cell_volume   77.61
_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
  Na  Na0  1  0.0  0.01  0.66  1.0
  Na  Na1  1  0.0  0.82  0.82  1.0
  Pd  Pd2  1  0.0  0.76  0.76  1.0
  Ir  Ir3  1  0.39  0.88  0.88  1.0

Na Na Ir Pd
Na Na Ir Pd 0 3 o o o 0 1 o o + 0 2 o - o 1 2 o - - 1 3 o o - 2 3 o + o 