data_SbIr2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02
_cell_length_b   3.77
_cell_length_c   5.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbIr2Pd
_chemical_formula_sum   'Sb1 Ir2 Pd1'
_cell_volume   65.38
_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
  Sb  Sb3  1  0.0  0.0  0.87  1.0
  Ir  Ir0  1  0.51  0.88  0.35  1.0
  Ir  Ir1  1  0.51  0.88  0.4  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0

data_SbIr2Pd
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.77
_cell_length_b   3.02
_cell_length_c   5.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   SbIr2Pd
_chemical_formula_sum   'Sb1 Ir2 Pd1'
_cell_volume   65.38
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Sb  Sb0  1  0.0  0.0  0.87  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.88  0.5  0.35  1.0
  Ir  Ir3  1  0.88  0.5  0.4  1.0

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