data_[Sn3Bi12Pb3Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Bi  2.0200  1.6000  1.0350
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.5878]
_cell_length_b [8.5878]
_cell_length_c [22.3856]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [SnBi4PbSe8]
_chemical_formula_sum '[Sn3 Bi12 Pb3 Se24]'
_cell_volume [1429.7590]
_cell_formula_units_Z [3]
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
[
  Sn  Sn0  3  0.0000  0.0000  0.3757  1.0
  Bi  Bi1  9  0.1692  0.3385  0.8321  1.0
  Bi  Bi2  3  0.0000  0.0000  0.6245  1.0
  Pb  Pb3  3  0.0000  0.0000  0.0019  1.0
  Se  Se4  9  0.0151  0.5076  0.7573  1.0
  Se  Se5  9  0.1744  0.3489  0.5778  1.0
  Se  Se6  3  0.0000  0.0000  0.2379  1.0
  Se  Se7  3  0.0000  0.0000  0.7583  1.0
]