data_Si2SbSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91
_cell_length_b   5.91
_cell_length_c   4.03
_cell_angle_alpha   101.26
_cell_angle_beta   101.26
_cell_angle_gamma   37.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2SbSe
_chemical_formula_sum   'Si2 Sb1 Se1'
_cell_volume   84.91
_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  0.97  0.0  0.21  1.0
  Si  Si3  1  0.8  0.0  0.0  1.0
  Sb  Sb0  1  0.29  0.0  0.14  1.0
  Se  Se1  1  0.46  0.0  0.57  1.0

data_Si2SbSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.85
_cell_length_b   4.03
_cell_length_c   5.91
_cell_angle_alpha   101.26
_cell_angle_beta   109.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2SbSe
_chemical_formula_sum   'Si2 Sb1 Se1'
_cell_volume   84.91
_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  0.8  1.0
  Si  Si1  1  0.0  0.21  0.97  1.0
  Sb  Sb2  1  0.0  0.14  0.29  1.0
  Se  Se3  1  0.0  0.57  0.46  1.0

Si Si Sb Se