data_[Y1S4Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  S  2.5800  1.0000  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7125]
_cell_length_b [7.9333]
_cell_length_c [8.6185]
_cell_angle_alpha [65.0842]
_cell_angle_beta [73.8002]
_cell_angle_gamma [69.8014]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Y(S2Br3)2]
_chemical_formula_sum '[Y1 S4 Br6]'
_cell_volume [385.8048]
_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
[
  Y  Y0  1  0.0000  0.0000  0.0000  1.0
  S  S1  2  0.2776  0.6126  0.5065  1.0
  S  S2  2  0.4344  0.3431  0.6487  1.0
  Br  Br3  2  0.0281  0.6071  0.1970  1.0
  Br  Br4  2  0.1834  0.0300  0.2427  1.0
  Br  Br5  2  0.3602  0.8991  0.7716  1.0
]