data_SiPdPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   5.4
_cell_angle_alpha   149.12
_cell_angle_beta   131.37
_cell_angle_gamma   58.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiPdPt2
_chemical_formula_sum   'Si1 Pd1 Pt2'
_cell_volume   60.07
_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  0.39  1.0
  Pd  Pd0  1  0.44  0.0  0.91  1.0
  Pt  Pt1  1  0.0  0.0  0.73  1.0
  Pt  Pt2  1  0.0  0.22  0.79  1.0

data_SiPdPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.44
_cell_length_c   5.4
_cell_angle_alpha   114.32
_cell_angle_beta   105.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiPdPt2
_chemical_formula_sum   'Si1 Pd1 Pt2'
_cell_volume   60.07
_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  0.61  0.61  0.61  1.0
  Pd  Pd1  1  0.53  0.09  0.53  1.0
  Pt  Pt2  1  0.21  0.43  0.43  1.0
  Pt  Pt3  1  0.27  0.27  0.27  1.0

Si Pd Pt Pt