data_[Tl16Hg2Sb4]
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 [C2/m]
_cell_length_a [19.1911]
_cell_length_b [4.8531]
_cell_length_c [7.7026]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.6046]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl8HgSb2]
_chemical_formula_sum '[Tl16 Hg2 Sb4]'
_cell_volume [715.9653]
_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  4  0.0067  0.0000  0.7357  1
  Tl  Tl1  4  0.1007  0.5000  0.5024  1
  Tl  Tl2  4  0.1637  0.5000  0.0277  1
  Tl  Tl3  4  0.2106  0.0000  0.3340  1
  Hg  Hg4  2  0.0000  0.5000  0.0000  1
  Sb  Sb5  4  0.1736  0.0000  0.7571  1
]