data_[Hg4Bi4Pb8Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  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 [Cmc2_1]
_cell_length_a [4.1992]
_cell_length_b [19.0120]
_cell_length_c [13.1825]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [HgBiPb2Se5]
_chemical_formula_sum '[Hg4 Bi4 Pb8 Se20]'
_cell_volume [1052.4373]
_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
[
  Hg  Hg0  4  0.0000  0.4325  0.4384  1.0
  Bi  Bi1  4  0.0000  0.2388  0.0376  1.0
  Pb  Pb2  4  0.0000  0.0717  0.6457  1.0
  Pb  Pb3  4  0.0000  0.1278  0.3079  1.0
  Se  Se4  4  0.0000  0.0728  0.0641  1.0
  Se  Se5  4  0.0000  0.2500  0.6974  1.0
  Se  Se6  4  0.0000  0.2830  0.3820  1.0
  Se  Se7  4  0.0000  0.3806  0.9817  1.0
  Se  Se8  4  0.0000  0.4987  0.7692  1.0
]