data_AsIrPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08
_cell_length_b   4.08
_cell_length_c   3.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsIrPd
_chemical_formula_sum   'As1 Ir1 Pd1'
_cell_volume   48.39
_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
  As  As0  1  0.0  0.0  0.26  1.0
  Ir  Ir1  1  0.04  0.18  0.75  1.0
  Pd  Pd2  1  0.0  0.36  0.35  1.0

data_AsIrPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   4.08
_cell_length_c   4.08
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsIrPd
_chemical_formula_sum   'As1 Ir1 Pd1'
_cell_volume   48.39
_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
  As  As0  1  0.26  0.0  0.0  1.0
  Pd  Pd1  1  0.35  0.0  0.36  1.0
  Ir  Ir2  1  0.75  0.04  0.18  1.0

As Ir Pd