data_Al2CdPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   5.03
_cell_angle_alpha   132.67
_cell_angle_beta   132.67
_cell_angle_gamma   69.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CdPd
_chemical_formula_sum   'Al2 Cd1 Pd1'
_cell_volume   67.38
_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  0.02  0.07  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Cd  Cd2  1  0.02  0.0  0.07  1.0
  Pd  Pd3  1  0.0  0.0  0.14  1.0

data_Al2CdPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.04
_cell_length_b   4.04
_cell_length_c   5.03
_cell_angle_alpha   113.66
_cell_angle_beta   113.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CdPd
_chemical_formula_sum   'Al2 Cd1 Pd1'
_cell_volume   67.38
_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  0.0  0.0  1.0
  Al  Al1  1  0.95  0.02  0.95  1.0
  Cd  Cd2  1  0.93  0.0  0.95  1.0
  Pd  Pd3  1  0.86  0.0  0.86  1.0

Al Al Cd Pd
Al Al Cd Pd 0 2 o o o 0 1 o o o 0 3 o o o 1 2 o o o 2 3 o o o 