data_Ir2PdCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   2.85
_cell_length_c   7.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ir2PdCl
_chemical_formula_sum   'Ir2 Pd1 Cl1'
_cell_volume   62.26
_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  Ir1  1  0.42  0.42  0.01  1.0
  Ir  Ir2  1  0.42  0.42  0.68  1.0
  Pd  Pd3  1  0.0  0.0  0.84  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Ir2PdCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.03
_cell_length_b   4.03
_cell_length_c   7.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ir2PdCl
_chemical_formula_sum   'Ir4 Pd2 Cl2'
_cell_volume   124.53
_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
  Pd  Pd0  2  0.0  0.0  0.84  1.0
  Ir  Ir1  2  0.42  0.0  0.01  1.0
  Ir  Ir2  2  0.42  0.0  0.68  1.0
  Cl  Cl3  2  0.0  0.0  0.0  1.0

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