data_SiTe2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.04
_cell_length_b   8.04
_cell_length_c   8.04
_cell_angle_alpha   151.36
_cell_angle_beta   151.36
_cell_angle_gamma   40.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiTe2Se
_chemical_formula_sum   'Si1 Te2 Se1'
_cell_volume   119.03
_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
  Te  Te2  1  0.99  0.0  0.76  1.0
  Te  Te3  1  0.0  0.0  0.53  1.0
  Se  Se0  1  0.0  0.99  0.76  1.0

data_SiTe2Se
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.62
_cell_length_b   5.62
_cell_length_c   8.04
_cell_angle_alpha   90.0
_cell_angle_beta   110.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SiTe2Se
_chemical_formula_sum   'Si2 Te4 Se2'
_cell_volume   238.06
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Te  Te1  2  0.0  0.0  0.47  1.0
  Te  Te2  2  0.49  0.5  0.22  1.0
  Se  Se3  2  0.49  0.5  0.22  1.0

Si Te Te Se