data_[Pb4S4Br4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.9970]
_cell_length_b [5.7130]
_cell_length_c [6.6579]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4025]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PbSBrO4]
_chemical_formula_sum '[Pb4 S4 Br4 O16]'
_cell_volume [538.0401]
_cell_formula_units_Z [4]
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
[
  Pb  Pb0  4  0.1947  0.5000  0.7340  1.0
  S  S1  4  0.1745  0.5000  0.2406  1.0
  Br  Br2  4  0.0334  0.0000  0.6837  1.0
  O  O3  8  0.1771  0.2887  0.1054  1.0
  O  O4  4  0.0910  0.5000  0.3086  1.0
  O  O5  4  0.2369  0.0000  0.5671  1.0
]