data_Si2SbSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.72
_cell_length_b   5.72
_cell_length_c   5.72
_cell_angle_alpha   127.38
_cell_angle_beta   127.38
_cell_angle_gamma   77.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2SbSe2
_chemical_formula_sum   'Si2 Sb1 Se2'
_cell_volume   114.47
_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  0.53  0.23  1.0
  Si  Si4  1  0.53  0.0  0.23  1.0
  Sb  Sb0  1  0.0  0.0  0.0  1.0
  Se  Se1  1  0.0  0.0  0.01  1.0
  Se  Se2  1  0.0  0.0  0.91  1.0

data_Si2SbSe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.17
_cell_length_b   7.17
_cell_length_c   5.72
_cell_angle_alpha   90.0
_cell_angle_beta   128.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Si2SbSe2
_chemical_formula_sum   'Si4 Sb2 Se4'
_cell_volume   228.94
_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  4  0.23  0.23  0.69  1.0
  Sb  Sb1  2  0.0  0.0  0.0  1.0
  Se  Se2  2  0.0  0.0  0.01  1.0
  Se  Se3  2  0.0  0.0  0.91  1.0

Si Si Sb Se Se
Si Si Sb Se Se 0 3 o o o 0 2 o o o 0 4 o o - 1 3 o o o 1 2 o o o 1 4 o o - 2 3 o o o 2 4 o o - 3 4 o o - 