data_Si2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.8
_cell_length_b   19.8
_cell_length_c   19.8
_cell_angle_alpha   169.74
_cell_angle_beta   169.74
_cell_angle_gamma   14.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2Sb
_chemical_formula_sum   'Si8 Sb4'
_cell_volume   246.3
_cell_formula_units_Z   4
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  Si4  1  0.77  0.0  0.42  1.0
  Si  Si5  1  0.77  0.0  0.22  1.0
  Si  Si6  1  0.0  0.0  0.24  1.0
  Si  Si7  1  0.0  0.0  0.04  1.0
  Si  Si8  1  0.77  0.0  0.9  1.0
  Si  Si9  1  0.77  0.0  0.74  1.0
  Si  Si10  1  0.0  0.0  0.72  1.0
  Si  Si11  1  0.0  0.0  0.56  1.0
  Sb  Sb0  1  0.0  0.77  0.21  1.0
  Sb  Sb1  1  0.0  0.77  0.43  1.0
  Sb  Sb2  1  0.0  0.0  0.67  1.0
  Sb  Sb3  1  0.0  0.0  0.61  1.0

data_Si2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   3.54
_cell_length_c   19.8
_cell_angle_alpha   95.13
_cell_angle_beta   95.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2Sb
_chemical_formula_sum   'Si8 Sb4'
_cell_volume   246.3
_cell_formula_units_Z   4
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  0.1  0.0  0.87  1.0
  Si  Si1  1  0.26  0.0  0.04  1.0
  Si  Si2  1  0.28  0.0  0.28  1.0
  Si  Si3  1  0.44  0.0  0.44  1.0
  Si  Si4  1  0.58  0.0  0.35  1.0
  Si  Si5  1  0.76  0.0  0.76  1.0
  Si  Si6  1  0.78  0.0  0.55  1.0
  Si  Si7  1  0.96  0.0  0.96  1.0
  Sb  Sb8  1  0.33  0.0  0.33  1.0
  Sb  Sb9  1  0.34  0.77  0.34  1.0
  Sb  Sb10  1  0.39  0.0  0.39  1.0
  Sb  Sb11  1  0.56  0.77  0.56  1.0

Si Si Si Si Si Si Si Si Sb Sb Sb Sb
Si Si Si Si Si Si Si Si Sb Sb Sb Sb 0 11 + o o 0 10 + o o 1 8 + - o 2 4 - o - 3 5 - o - 3 4 - o - 6 10 o o o 7 11 o o o 9 10 o + o 9 11 o + o 10 11 o o o 