data_AlPd2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   2.87
_cell_length_c   7.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlPd2Pt
_chemical_formula_sum   'Al1 Pd2 Pt1'
_cell_volume   59.69
_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
  Pd  Pd1  1  0.44  0.44  0.6  1.0
  Pd  Pd2  1  0.44  0.44  0.63  1.0
  Pt  Pt3  1  0.0  0.0  0.61  1.0

data_AlPd2Pt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.07
_cell_length_b   4.07
_cell_length_c   7.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlPd2Pt
_chemical_formula_sum   'Al2 Pd4 Pt2'
_cell_volume   119.38
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Pd  Pd1  2  0.44  0.0  0.6  1.0
  Pd  Pd2  2  0.44  0.0  0.63  1.0
  Pt  Pt3  2  0.0  0.0  0.61  1.0

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