data_SbBr2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.75
_cell_length_b   7.75
_cell_length_c   7.75
_cell_angle_alpha   32.03
_cell_angle_beta   32.03
_cell_angle_gamma   32.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbBr2Cl
_chemical_formula_sum   'Sb1 Br2 Cl1'
_cell_volume   116.55
_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  0.03  1.0
  Br  Br0  1  0.0  0.0  0.25  1.0
  Br  Br1  1  0.0  0.0  0.81  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

data_SbBr2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.41
_cell_length_b   4.28
_cell_length_c   7.75
_cell_angle_alpha   90.0
_cell_angle_beta   108.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SbBr2Cl
_chemical_formula_sum   'Sb2 Br4 Cl2'
_cell_volume   233.1
_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  0.97  1.0
  Br  Br1  2  0.0  0.0  0.19  1.0
  Br  Br2  2  0.0  0.0  0.75  1.0
  Cl  Cl3  2  0.0  0.0  0.0  1.0

Sb Br Br Cl