data_SiSb2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.82
_cell_length_b   7.82
_cell_length_c   3.98
_cell_angle_alpha   104.54
_cell_angle_beta   104.54
_cell_angle_gamma   28.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiSb2Cl
_chemical_formula_sum   'Si1 Sb2 Cl1'
_cell_volume   111.73
_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  0.66  0.0  0.01  1.0
  Sb  Sb1  1  0.0  0.0  0.78  1.0
  Sb  Sb2  1  0.93  0.0  0.86  1.0
  Cl  Cl0  1  0.6  0.0  0.95  1.0

data_SiSb2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.83
_cell_length_b   3.98
_cell_length_c   7.82
_cell_angle_alpha   104.54
_cell_angle_beta   104.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiSb2Cl
_chemical_formula_sum   'Si1 Sb2 Cl1'
_cell_volume   111.73
_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  0.01  0.66  1.0
  Sb  Sb1  1  0.0  0.78  0.0  1.0
  Sb  Sb2  1  0.0  0.86  0.93  1.0
  Cl  Cl3  1  0.0  0.95  0.6  1.0

Si Sb Sb Cl
Si Sb Sb Cl 0 3 o o - 1 2 - o o 