data_SiSn2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   3.37
_cell_angle_alpha   97.02
_cell_angle_beta   97.02
_cell_angle_gamma   101.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiSn2Pt
_chemical_formula_sum   'Si1 Sn2 Pt1'
_cell_volume   81.7
_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  Si1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.26  0.06  0.65  1.0
  Sn  Sn3  1  0.26  0.94  0.65  1.0
  Pt  Pt0  1  0.18  0.0  0.0  1.0

data_SiSn2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   101.52
_cell_angle_beta   97.02
_cell_angle_gamma   97.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiSn2Pt
_chemical_formula_sum   'Si1 Sn2 Pt1'
_cell_volume   81.7
_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
  Sn  Sn1  1  0.65  0.26  0.06  1.0
  Sn  Sn2  1  0.65  0.26  0.94  1.0
  Pt  Pt3  1  0.0  0.18  0.0  1.0

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