data_[Tl4In2Hg2Bi1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  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 [5.9654]
_cell_length_b [6.8464]
_cell_length_c [6.8978]
_cell_angle_alpha [92.4618]
_cell_angle_beta [99.9123]
_cell_angle_gamma [101.1380]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tl4In2Hg2Bi]
_chemical_formula_sum '[Tl4 In2 Hg2 Bi1]'
_cell_volume [271.4366]
_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  0.2176  0.8763  0.5358  1.0
  Tl  Tl1  2  0.3023  0.3506  0.3330  1.0
  In  In2  2  0.4516  0.7851  0.0966  1.0
  Hg  Hg3  2  0.1394  0.4468  0.8068  1.0
  Bi  Bi4  1  0.0000  0.0000  0.0000  1.0
]