data_Pd3Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.3
_cell_length_b   9.3
_cell_length_c   9.3
_cell_angle_alpha   17.24
_cell_angle_beta   17.24
_cell_angle_gamma   17.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pd3Pt
_chemical_formula_sum   'Pd3 Pt1'
_cell_volume   61.61
_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
  Pd  Pd0  1  0.0  0.0  0.88  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.0  0.0  0.6  1.0
  Pt  Pt3  1  0.0  0.0  0.74  1.0

data_Pd3Pt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.83
_cell_length_b   2.79
_cell_length_c   9.3
_cell_angle_alpha   90.0
_cell_angle_beta   99.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Pd3Pt
_chemical_formula_sum   'Pd6 Pt2'
_cell_volume   123.22
_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
  Pd  Pd0  2  0.0  0.0  0.0  1.0
  Pd  Pd1  2  0.0  0.0  0.12  1.0
  Pd  Pd2  2  0.0  0.0  0.4  1.0
  Pt  Pt3  2  0.0  0.0  0.26  1.0

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