data_[Tl2Hg2Bi1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P2/m]
_cell_length_a [5.5445]
_cell_length_b [3.3999]
_cell_length_c [8.2242]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5383]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tl2Hg2Bi]
_chemical_formula_sum '[Tl2 Hg2 Bi1]'
_cell_volume [150.7249]
_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  0.3991  0.5000  0.7810  1.0
  Hg  Hg1  2  0.1975  0.0000  0.4001  1.0
  Bi  Bi2  1  0.0000  0.0000  0.0000  1.0
]