data_[Tl4In24Hg10]
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 [C2/m]
_cell_length_a [14.3542]
_cell_length_b [9.1707]
_cell_length_c [8.2614]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.6323]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2In12Hg5]
_chemical_formula_sum '[Tl4 In24 Hg10]'
_cell_volume [1087.0705]
_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  0.2026  0.0000  1.0
  In  In1  8  0.1066  0.2674  0.4069  1.0
  In  In2  8  0.1975  0.2403  0.7963  1.0
  In  In3  4  0.0468  0.5000  0.7259  1.0
  In  In4  4  0.1666  0.0000  0.1177  1.0
  Hg  Hg5  4  0.1462  0.5000  0.0923  1.0
  Hg  Hg6  4  0.2373  0.0000  0.5187  1.0
  Hg  Hg7  2  0.0000  0.0000  0.5000  1.0
]