data_[Tl4Hg2Sb2]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.3642]
_cell_length_b [4.9036]
_cell_length_c [8.5715]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0153]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tl2HgSb]
_chemical_formula_sum '[Tl4 Hg2 Sb2]'
_cell_volume [251.3423]
_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
[
  Tl  Tl0  2  0.2003  0.7500  0.4355  1.0
  Tl  Tl1  2  0.2373  0.7500  0.9130  1.0
  Hg  Hg2  2  0.2801  0.2500  0.1944  1.0
  Sb  Sb3  2  0.3585  0.2500  0.7095  1.0
]