data_[Tl2Hg1Sb1]
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/m]
_cell_length_a [3.3263]
_cell_length_b [4.5237]
_cell_length_c [8.3958]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.5646]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tl2HgSb]
_chemical_formula_sum '[Tl2 Hg1 Sb1]'
_cell_volume [126.2857]
_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  0.0207  0.0000  0.2376  1.0
  Hg  Hg1  1  0.5000  0.5000  0.5000  1.0
  Sb  Sb2  1  0.5000  0.5000  0.0000  1.0
]