data_IrOs2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   4.74
_cell_angle_alpha   99.48
_cell_angle_beta   99.48
_cell_angle_gamma   33.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrOs2Pd
_chemical_formula_sum   'Ir1 Os2 Pd1'
_cell_volume   58.38
_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  0.17  0.0  0.33  1.0
  Os  Os1  1  0.64  0.0  0.47  1.0
  Os  Os2  1  0.7  0.0  0.2  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

data_IrOs2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.74
_cell_length_c   4.77
_cell_angle_alpha   99.48
_cell_angle_beta   106.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrOs2Pd
_chemical_formula_sum   'Ir1 Os2 Pd1'
_cell_volume   58.38
_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
  Pd  Pd0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.0  0.2  0.7  1.0
  Ir  Ir2  1  0.0  0.33  0.17  1.0
  Os  Os3  1  0.0  0.47  0.64  1.0

Ir Os Os Pd
Ir Os Os Pd 0 3 o o o 1 2 o o o 2 3 + o o 