data_[Sb16Pb24I4]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.5428]
_cell_length_b [15.2631]
_cell_length_c [22.6789]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sb4Pb6I]
_chemical_formula_sum '[Sb16 Pb24 I4]'
_cell_volume [1572.4915]
_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
[
  Sb  Sb0  8  0.0000  0.1298  0.0507  1
  Sb  Sb1  8  0.0000  0.4094  0.1245  1
  Pb  Pb2  8  0.0000  0.0278  0.1717  1
  Pb  Pb3  8  0.0000  0.2276  0.5705  1
  Pb  Pb4  4  0.0000  0.3412  0.2500  1
  Pb  Pb5  4  0.0000  0.5000  0.0000  1
  I  I6  4  0.0000  0.3084  0.7500  1
]