data_[Sb16Pb48Se32]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [8.9748]
_cell_length_b [12.4514]
_cell_length_c [26.3463]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [SbPb3Se2]
_chemical_formula_sum '[Sb16 Pb48 Se32]'
_cell_volume [2944.1532]
_cell_formula_units_Z [16]
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  16  0.0000  0.0000  0.0827  1
  Pb  Pb1  32  0.0026  0.2466  0.4180  1
  Pb  Pb2  16  0.0057  0.2500  0.7500  1
  Se  Se3  16  0.0000  0.0000  0.2494  1
  Se  Se4  16  0.0000  0.0000  0.4159  1
]