data_SbAsCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   5.56
_cell_angle_alpha   133.74
_cell_angle_beta   133.74
_cell_angle_gamma   67.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbAsCl2
_chemical_formula_sum   'Sb1 As1 Cl2'
_cell_volume   88.08
_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  Sb3  1  0.0  0.0  0.62  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Cl  Cl1  1  0.18  0.0  0.31  1.0
  Cl  Cl2  1  0.0  0.18  0.31  1.0

data_SbAsCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.17
_cell_length_b   6.17
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   123.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SbAsCl2
_chemical_formula_sum   'Sb2 As2 Cl4'
_cell_volume   176.16
_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  0.62  1.0
  As  As1  2  0.0  0.0  0.0  1.0
  Cl  Cl2  4  0.41  0.41  0.13  1.0

Sb As Cl Cl
Sb As Cl Cl 0 3 o o o 0 2 o o o 0 1 o o + 1 3 o o o 1 2 o o o 2 3 o o o 