data_AlIr2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   4.7
_cell_angle_alpha   102.89
_cell_angle_beta   102.89
_cell_angle_gamma   34.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlIr2Pd
_chemical_formula_sum   'Al1 Ir2 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
  Al  Al0  1  0.52  0.0  0.33  1.0
  Ir  Ir1  1  0.96  0.0  0.11  1.0
  Ir  Ir2  1  0.49  0.0  0.01  1.0
  Pd  Pd3  1  0.04  0.0  0.41  1.0

data_AlIr2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.7
_cell_length_c   4.74
_cell_angle_alpha   102.89
_cell_angle_beta   107.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlIr2Pd
_chemical_formula_sum   'Al1 Ir2 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
  Al  Al0  1  0.0  0.33  0.52  1.0
  Ir  Ir1  1  0.0  0.01  0.49  1.0
  Ir  Ir2  1  0.0  0.11  0.96  1.0
  Pd  Pd3  1  0.0  0.41  0.04  1.0

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