data_SiTeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.28
_cell_length_b   7.28
_cell_length_c   7.28
_cell_angle_alpha   152.56
_cell_angle_beta   140.59
_cell_angle_gamma   48.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiTeSe2
_chemical_formula_sum   'Si1 Te1 Se2'
_cell_volume   112.5
_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  Si2  1  0.0  0.0  0.12  1.0
  Te  Te3  1  0.0  0.45  0.9  1.0
  Se  Se0  1  0.0  0.0  0.75  1.0
  Se  Se1  1  0.73  0.0  0.5  1.0

data_SiTeSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   4.91
_cell_length_c   7.28
_cell_angle_alpha   109.7
_cell_angle_beta   103.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiTeSe2
_chemical_formula_sum   'Si1 Te1 Se2'
_cell_volume   112.5
_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  0.12  0.12  1.0
  Te  Te1  1  0.55  0.44  0.44  1.0
  Se  Se2  1  0.0  0.5  0.78  1.0
  Se  Se3  1  0.0  0.75  0.75  1.0

Si Te Se Se