data_AsSeBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.4
_cell_length_b   4.24
_cell_length_c   5.44
_cell_angle_alpha   90.0
_cell_angle_beta   100.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsSeBr2
_chemical_formula_sum   'As1 Se1 Br2'
_cell_volume   99.67
_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
  As  As0  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.72  0.0  0.68  1.0
  Br  Br1  1  0.24  0.12  0.1  1.0
  Br  Br2  1  0.2  0.12  0.25  1.0

data_AsSeBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.24
_cell_length_b   4.4
_cell_length_c   5.44
_cell_angle_alpha   100.05
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsSeBr2
_chemical_formula_sum   'As1 Se1 Br2'
_cell_volume   99.67
_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
  As  As0  1  0.0  0.0  0.0  1.0
  Se  Se1  1  0.0  0.28  0.32  1.0
  Br  Br2  1  0.88  0.76  0.9  1.0
  Br  Br3  1  0.88  0.8  0.75  1.0

As Se Br Br