data_Ir8Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.16
_cell_length_b   6.16
_cell_length_c   6.16
_cell_angle_alpha   95.64
_cell_angle_beta   95.64
_cell_angle_gamma   143.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ir8Pd
_chemical_formula_sum   'Ir8 Pd1'
_cell_volume   131.84
_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
  Ir  Ir0  1  0.79  0.0  0.0  1.0
  Ir  Ir1  1  0.48  0.0  0.0  1.0
  Ir  Ir2  1  0.0  0.79  0.0  1.0
  Ir  Ir3  1  0.73  0.73  0.0  1.0
  Ir  Ir4  1  0.41  0.59  0.93  1.0
  Ir  Ir5  1  0.0  0.48  0.0  1.0
  Ir  Ir6  1  0.59  0.41  0.93  1.0
  Ir  Ir7  1  0.41  0.41  0.93  1.0
  Pd  Pd8  1  0.0  0.0  0.0  1.0

data_Ir8Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.86
_cell_length_b   11.69
_cell_length_c   6.16
_cell_angle_alpha   90.0
_cell_angle_beta   108.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ir8Pd
_chemical_formula_sum   'Ir16 Pd2'
_cell_volume   263.68
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.0  0.41  0.07  1.0
  Ir  Ir1  4  0.11  0.11  0.0  1.0
  Ir  Ir2  4  0.26  0.26  0.0  1.0
  Pd  Pd3  2  0.0  0.0  0.0  1.0
  Ir  Ir4  2  0.09  0.5  0.07  1.0
  Ir  Ir5  2  0.27  0.0  0.0  1.0

Ir Ir Ir Ir Ir Ir Ir Ir Pd
Ir Ir Ir Ir Ir Ir Ir Ir Pd 0 4 o - - 0 3 o - o 0 8 + o o 0 1 o o o 0 5 + o o 1 5 o - o 1 5 + o o 1 2 o - o 1 6 o o - 1 4 o - - 2 3 - o o 2 6 - o - 2 8 o + o 2 5 o o o 3 7 o o - 3 8 + + o 3 4 o o - 3 6 o o - 4 7 o o o 4 5 o o + 5 6 - o - 6 7 o o o 