data_[Si1S5Br1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.6256]
_cell_length_b [7.0398]
_cell_length_c [7.0979]
_cell_angle_alpha [117.6628]
_cell_angle_beta [100.6666]
_cell_angle_gamma [103.7618]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [SiS5Br]
_chemical_formula_sum '[Si1 S5 Br1]'
_cell_volume [227.0999]
_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
[
  Si  Si0  1  0.7606  0.6097  0.7954  1
  S  S1  1  0.3621  0.1595  0.3808  1
  S  S2  1  0.3737  0.8214  0.1898  1
  S  S3  1  0.3780  0.4870  0.7809  1
  S  S4  1  0.7569  0.3424  0.4719  1
  S  S5  1  0.9849  0.6393  0.1004  1
  Br  Br6  1  0.9144  0.9408  0.8115  1
]