data_Si2TeSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   133.27
_cell_angle_beta   111.0
_cell_angle_gamma   87.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2TeSe
_chemical_formula_sum   'Si2 Te1 Se1'
_cell_volume   87.67
_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  0.91  0.05  1.0
  Si  Si2  1  0.03  0.0  0.66  1.0
  Te  Te3  1  0.0  0.0  0.71  1.0
  Se  Se0  1  0.0  0.0  0.0  1.0

data_Si2TeSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.07
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   69.0
_cell_angle_beta   66.63
_cell_angle_gamma   66.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2TeSe
_chemical_formula_sum   'Si2 Te1 Se1'
_cell_volume   87.67
_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  0.97  0.66  1.0
  Si  Si1  1  0.91  -0.0  0.14  1.0
  Te  Te2  1  0.0  0.0  0.71  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Si Si Te Se