data_SbSeCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.11
_cell_length_b   11.11
_cell_length_c   11.11
_cell_angle_alpha   17.14
_cell_angle_beta   17.14
_cell_angle_gamma   17.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbSeCl2
_chemical_formula_sum   'Sb1 Se1 Cl2'
_cell_volume   103.82
_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
  Sb  Sb2  1  0.0  0.0  0.41  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.0  0.0  0.23  1.0
  Cl  Cl1  1  0.0  0.0  0.6  1.0

data_SbSeCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.73
_cell_length_b   3.31
_cell_length_c   11.11
_cell_angle_alpha   90.0
_cell_angle_beta   99.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SbSeCl2
_chemical_formula_sum   'Sb2 Se2 Cl4'
_cell_volume   207.64
_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
  Sb  Sb0  2  0.0  0.0  0.59  1.0
  Se  Se1  2  0.0  0.0  0.0  1.0
  Cl  Cl2  2  -0.0  0.0  0.77  1.0
  Cl  Cl3  2  -0.0  0.0  0.4  1.0

Sb Se Cl Cl
Sb Se Cl Cl 0 2 o o o 0 3 o o o 1 1 o + - 1 1 + - o 1 1 + o - 1 2 o o o 