data_SiSn2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   3.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiSn2Pt
_chemical_formula_sum   'Si1 Sn2 Pt1'
_cell_volume   81.2
_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  0.58  0.93  0.66  1.0
  Sn  Sn3  1  0.58  0.07  0.66  1.0
  Pt  Pt0  1  0.17  0.0  0.0  1.0

data_SiSn2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   101.31
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiSn2Pt
_chemical_formula_sum   'Si1 Sn2 Pt1'
_cell_volume   81.2
_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  0.66  0.58  0.07  1.0
  Sn  Sn2  1  0.66  0.58  0.93  1.0
  Pt  Pt3  1  0.0  0.17  0.0  1.0

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