data_[Tl2Hg4Sb2]
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 [Imm2]
_cell_length_a [3.9443]
_cell_length_b [4.6187]
_cell_length_c [13.3333]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [TlHg2Sb]
_chemical_formula_sum '[Tl2 Hg4 Sb2]'
_cell_volume [242.8953]
_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  0.0000  0.5000  0.7944  1.0
  Hg  Hg1  2  0.0000  0.0000  0.0001  1.0
  Hg  Hg2  2  0.0000  0.5000  0.2041  1.0
  Sb  Sb3  2  0.0000  0.0000  0.5012  1.0
]