data_AsBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15
_cell_length_b   6.15
_cell_length_c   8.49
_cell_angle_alpha   91.87
_cell_angle_beta   91.87
_cell_angle_gamma   32.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsBr2
_chemical_formula_sum   'As2 Br4'
_cell_volume   172.1
_cell_formula_units_Z   2
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  0.73  1.0
  As  As1  1  0.39  0.0  0.01  1.0
  Br  Br2  1  0.38  0.0  0.11  1.0
  Br  Br3  1  0.13  0.0  0.4  1.0
  Br  Br4  1  0.97  0.0  0.1  1.0
  Br  Br5  1  0.78  0.0  0.52  1.0

data_AsBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   6.15
_cell_length_c   8.49
_cell_angle_alpha   91.87
_cell_angle_beta   90.0
_cell_angle_gamma   106.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsBr2
_chemical_formula_sum   'As2 Br4'
_cell_volume   172.1
_cell_formula_units_Z   2
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  0.61  0.99  1.0
  As  As1  1  0.0  1.0  0.27  1.0
  Br  Br2  1  0.0  0.03  0.9  1.0
  Br  Br3  1  0.0  0.22  0.48  1.0
  Br  Br4  1  0.0  0.62  0.89  1.0
  Br  Br5  1  0.0  0.87  0.6  1.0

As As Br Br Br Br
As As Br Br Br Br 0 5 - o o 0 3 o o o 1 2 o o o 1 4 - o o 2 3 o o o 2 4 - o o 3 4 - o o 3 5 - o o 