data_[Tl6Hg8Sb2]
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 [Immm]
_cell_length_a [3.3034]
_cell_length_b [10.3647]
_cell_length_c [13.8434]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Tl3Hg4Sb]
_chemical_formula_sum '[Tl6 Hg8 Sb2]'
_cell_volume [473.9835]
_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  0.0000  0.0000  0.2225  1.0
  Tl  Tl1  2  0.0000  0.5000  0.0000  1.0
  Hg  Hg2  8  0.0000  0.2347  0.3786  1.0
  Sb  Sb3  2  0.0000  0.5000  0.5000  1.0
]