data_Sb2AsBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31
_cell_length_b   6.31
_cell_length_c   6.31
_cell_angle_alpha   146.03
_cell_angle_beta   131.2
_cell_angle_gamma   60.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2AsBr
_chemical_formula_sum   'Sb2 As1 Br1'
_cell_volume   104.69
_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  0.84  0.0  0.2  1.0
  Sb  Sb3  1  0.0  0.61  0.24  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Br  Br1  1  0.0  0.0  0.44  1.0

data_Sb2AsBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   5.21
_cell_length_c   6.31
_cell_angle_alpha   114.4
_cell_angle_beta   106.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2AsBr
_chemical_formula_sum   'Sb2 As1 Br1'
_cell_volume   104.69
_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  0.64  0.8  0.64  1.0
  Sb  Sb1  1  0.76  0.37  0.37  1.0
  As  As2  1  0.0  0.0  0.0  1.0
  Br  Br3  1  0.56  0.56  0.56  1.0

Sb Sb As Br