data_SiPtSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.34
_cell_length_b   6.34
_cell_length_c   4.37
_cell_angle_alpha   102.47
_cell_angle_beta   102.47
_cell_angle_gamma   31.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiPtSe2
_chemical_formula_sum   'Si1 Pt1 Se2'
_cell_volume   89.77
_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
  Pt  Pt0  1  0.61  0.0  0.13  1.0
  Se  Se1  1  0.88  0.0  0.9  1.0
  Se  Se2  1  0.34  0.0  0.36  1.0

data_SiPtSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   4.37
_cell_length_c   6.34
_cell_angle_alpha   102.47
_cell_angle_beta   105.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiPtSe2
_chemical_formula_sum   'Si1 Pt1 Se2'
_cell_volume   89.77
_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
  Pt  Pt1  1  0.0  0.13  0.61  1.0
  Se  Se2  1  0.0  0.36  0.34  1.0
  Se  Se3  1  0.0  0.9  0.88  1.0

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