data_[Cs8Tl2Hg4Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.5793]
_cell_length_b [10.7559]
_cell_length_c [17.0185]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Cs4Tl(HgBi)2]
_chemical_formula_sum '[Cs8 Tl2 Hg4 Bi4]'
_cell_volume [1021.2916]
_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
[
  Cs  Cs0  8  0.0000  0.2578  0.1357  1.0
  Tl  Tl1  2  0.0000  0.5000  0.5000  1.0
  Hg  Hg2  4  0.0000  0.0000  0.2955  1.0
  Bi  Bi3  4  0.0000  0.5000  0.3208  1.0
]