data_[Tl4In24Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [10.3965]
_cell_length_b [18.4653]
_cell_length_c [5.8755]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tl(In2Hg)3]
_chemical_formula_sum '[Tl4 In24 Hg12]'
_cell_volume [1127.9520]
_cell_formula_units_Z [4]
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  0.2033  0.8108  1.0
  In  In1  8  0.1607  0.4455  0.4596  1.0
  In  In2  8  0.2419  0.7928  0.6767  1.0
  In  In3  4  0.0000  0.0543  0.1195  1.0
  In  In4  4  0.0000  0.2976  0.3219  1.0
  Hg  Hg5  8  0.1769  0.0889  0.5382  1.0
  Hg  Hg6  4  0.0000  0.4017  0.9136  1.0
]