data_[Cs2Tl1Hg6Bi1]
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 [P-1]
_cell_length_a [7.8125]
_cell_length_b [7.8617]
_cell_length_c [8.4886]
_cell_angle_alpha [91.3467]
_cell_angle_beta [117.0312]
_cell_angle_gamma [117.4773]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cs2TlHg6Bi]
_chemical_formula_sum '[Cs2 Tl1 Hg6 Bi1]'
_cell_volume [393.6762]
_cell_formula_units_Z [1]
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  2  0.3967  0.0983  0.7023  1.0
  Tl  Tl1  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  2  0.0364  0.3850  0.8731  1.0
  Hg  Hg3  2  0.2350  0.3681  0.3487  1.0
  Hg  Hg4  2  0.4954  0.6491  0.8487  1.0
  Bi  Bi5  1  0.0000  0.5000  0.5000  1.0
]