data_[As2H2S4Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  As  2.1800  1.1500  0.6600
  H  2.2000  0.2500  0.0000
  S  2.5800  1.0000  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.5518]
_cell_length_b [4.1503]
_cell_length_c [10.1276]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9253]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [AsHS2Br]
_chemical_formula_sum '[As2 H2 S4 Br2]'
_cell_volume [271.2705]
_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  2  0.2903  0.7500  0.0086  1.0
  H  H1  2  0.3436  0.7500  0.3880  1.0
  S  S2  2  0.3755  0.2500  0.8740  1.0
  S  S3  2  0.4466  0.7500  0.5164  1.0
  Br  Br4  2  0.1684  0.2500  0.1786  1.0
]