data_AlIrPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   4.06
_cell_length_c   5.38
_cell_angle_alpha   90.0
_cell_angle_beta   104.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlIrPd2
_chemical_formula_sum   'Al1 Ir1 Pd2'
_cell_volume   59.29
_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  0.19  0.0  0.76  1.0
  Ir  Ir1  1  0.83  0.03  0.7  1.0
  Pd  Pd2  1  0.65  0.0  0.04  1.0
  Pd  Pd3  1  0.26  0.03  0.3  1.0

data_AlIrPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.06
_cell_length_c   5.38
_cell_angle_alpha   90.0
_cell_angle_beta   104.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlIrPd2
_chemical_formula_sum   'Al1 Ir1 Pd2'
_cell_volume   59.29
_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  0.19  0.0  0.76  1.0
  Pd  Pd1  1  0.26  0.03  0.3  1.0
  Pd  Pd2  1  0.65  0.0  0.04  1.0
  Ir  Ir3  1  0.83  0.03  0.7  1.0

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