data_SiPd2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   4.6
_cell_angle_alpha   127.94
_cell_angle_beta   127.94
_cell_angle_gamma   76.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiPd2Pt
_chemical_formula_sum   'Si1 Pd2 Pt1'
_cell_volume   58.79
_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
  Si  Si3  1  0.0  0.0  0.0  1.0
  Pd  Pd0  1  0.02  0.0  0.8  1.0
  Pd  Pd1  1  0.0  0.0  0.61  1.0
  Pt  Pt2  1  0.0  0.02  0.8  1.0

data_SiPd2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.04
_cell_length_b   4.04
_cell_length_c   4.6
_cell_angle_alpha   116.03
_cell_angle_beta   116.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiPd2Pt
_chemical_formula_sum   'Si1 Pd2 Pt1'
_cell_volume   58.79
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.61  0.61  0.61  1.0
  Pd  Pd2  1  0.8  0.78  0.78  1.0
  Pt  Pt3  1  0.78  0.8  0.78  1.0

Si Pd Pd Pt
Si Pd Pd Pt 0 3 o o - 0 1 o o - 1 3 o o o 1 2 o o o 2 3 o o o 