data_[Sb2Pb4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.4262]
_cell_length_b [9.7958]
_cell_length_c [7.2836]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.1915]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sb(PbBr4)2]
_chemical_formula_sum '[Sb2 Pb4 Br16]'
_cell_volume [859.5817]
_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  0.0000  0.0000  0.0000  1
  Pb  Pb1  4  0.1610  0.5000  0.2378  1
  Br  Br2  8  0.1469  0.1869  0.2642  1
  Br  Br3  4  0.0684  0.5000  0.8080  1
  Br  Br4  4  0.1119  0.0000  0.7699  1
]