data_SbSeBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.86
_cell_length_b   7.86
_cell_length_c   7.86
_cell_angle_alpha   152.39
_cell_angle_beta   144.97
_cell_angle_gamma   45.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbSeBr2
_chemical_formula_sum   'Sb1 Se1 Br2'
_cell_volume   128.74
_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  0.26  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0
  Br  Br0  1  0.0  0.37  0.29  1.0
  Br  Br1  1  0.88  0.0  0.96  1.0

data_SbSeBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   4.73
_cell_length_c   7.86
_cell_angle_alpha   107.52
_cell_angle_beta   103.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbSeBr2
_chemical_formula_sum   'Sb1 Se1 Br2'
_cell_volume   128.74
_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  Sb0  1  0.0  0.26  0.26  1.0
  Se  Se1  1  0.0  0.0  0.0  1.0
  Br  Br2  1  0.0  0.96  0.09  1.0
  Br  Br3  1  0.63  0.93  0.93  1.0

Sb Se Br Br