data_SiPd2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   5.34
_cell_angle_alpha   148.8
_cell_angle_beta   130.88
_cell_angle_gamma   59.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiPd2Pt
_chemical_formula_sum   'Si1 Pd2 Pt1'
_cell_volume   59.28
_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  0.44  0.0  0.91  1.0
  Pd  Pd1  1  0.0  0.22  0.73  1.0
  Pt  Pt2  1  0.0  0.0  0.64  1.0

data_SiPd2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.44
_cell_length_c   5.34
_cell_angle_alpha   114.56
_cell_angle_beta   105.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiPd2Pt
_chemical_formula_sum   'Si1 Pd2 Pt1'
_cell_volume   59.28
_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  0.27  0.49  0.49  1.0
  Pd  Pd2  1  0.53  0.09  0.53  1.0
  Pt  Pt3  1  0.36  0.36  0.36  1.0

Si Pd Pd Pt