data_[Sn4S2Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  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 [6.0565]
_cell_length_b [4.0748]
_cell_length_c [16.0527]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.7752]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sn2SBr2]
_chemical_formula_sum '[Sn4 S2 Br4]'
_cell_volume [394.1491]
_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
[
  Sn  Sn0  2  0.1237  0.2500  0.0923  1.0
  Sn  Sn1  2  0.2529  0.2500  0.5959  1.0
  S  S2  2  0.1608  0.2500  0.9310  1.0
  Br  Br3  2  0.2162  0.7500  0.4358  1.0
  Br  Br4  2  0.2439  0.7500  0.7178  1.0
]