data_AsBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.6
_cell_length_b   8.6
_cell_length_c   3.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsBr2
_chemical_formula_sum   'As3 Br6'
_cell_volume   232.41
_cell_formula_units_Z   3
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
  As  As0  1  0.0  0.96  0.82  1.0
  As  As1  1  0.3  0.48  0.82  1.0
  As  As2  1  0.0  0.0  0.0  1.0
  Br  Br3  1  0.97  0.0  0.82  1.0
  Br  Br4  1  0.01  0.71  0.82  1.0
  Br  Br5  1  0.31  0.74  0.82  1.0
  Br  Br6  1  0.73  0.0  0.0  1.0
  Br  Br7  1  0.63  0.1  0.0  1.0
  Br  Br8  1  0.93  0.35  0.0  1.0

data_AsBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   8.6
_cell_length_c   8.6
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsBr2
_chemical_formula_sum   'As3 Br6'
_cell_volume   232.41
_cell_formula_units_Z   3
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
  As  As0  1  0.0  0.0  0.0  1.0
  As  As1  1  0.82  0.0  0.96  1.0
  As  As2  1  0.82  0.3  0.48  1.0
  Br  Br3  1  -0.0  0.93  0.35  1.0
  Br  Br4  1  -0.0  0.73  0.0  1.0
  Br  Br5  1  -0.0  0.63  0.1  1.0
  Br  Br6  1  0.82  0.01  0.71  1.0
  Br  Br7  1  0.82  0.31  0.74  1.0
  Br  Br8  1  0.82  0.97  0.0  1.0

As As As Br Br Br Br Br Br