data_[Tl2Cd1Hg6Bi1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
  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 [6.2919]
_cell_length_b [6.8084]
_cell_length_c [7.0732]
_cell_angle_alpha [88.2324]
_cell_angle_beta [89.9650]
_cell_angle_gamma [78.6867]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tl2CdHg6Bi]
_chemical_formula_sum '[Tl2 Cd1 Hg6 Bi1]'
_cell_volume [296.9653]
_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
[
  Tl  Tl0  2  0.4362  0.0849  0.2489  1.0
  Cd  Cd1  1  0.5000  0.5000  0.5000  1.0
  Hg  Hg2  2  0.0742  0.7854  0.5891  1.0
  Hg  Hg3  2  0.2015  0.3257  0.7511  1.0
  Hg  Hg4  2  0.2807  0.5665  0.1070  1.0
  Bi  Bi5  1  0.0000  0.0000  0.0000  1.0
]