data_[Sb2S2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  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]
_cell_length_a [7.0485]
_cell_length_b [8.4960]
_cell_length_c [7.4565]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.2835]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [SbSBr3]
_chemical_formula_sum '[Sb2 S2 Br6]'
_cell_volume [396.8526]
_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
[
  Sb  Sb0  2  0.0133  0.9881  0.9972  1.0
  S  S1  2  0.2525  0.5071  0.8680  1.0
  Br  Br2  2  0.1668  0.2576  0.2837  1.0
  Br  Br3  2  0.1741  0.6928  0.2989  1.0
  Br  Br4  2  0.4649  0.2928  0.9774  1.0
]