data_[Tl10In4Hg24]
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 [20.1824]
_cell_length_b [6.8814]
_cell_length_c [8.6201]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9810]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl5(InHg6)2]
_chemical_formula_sum '[Tl10 In4 Hg24]'
_cell_volume [1110.1489]
_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  0.1655  0.5000  0.1900  1.0
  Tl  Tl1  4  0.2345  0.0000  0.0838  1.0
  Tl  Tl2  2  0.0000  0.0000  0.5000  1.0
  In  In3  4  0.0000  0.2598  0.0000  1.0
  Hg  Hg4  8  0.1053  0.2541  0.8129  1.0
  Hg  Hg5  8  0.1879  0.2505  0.5709  1.0
  Hg  Hg6  4  0.0431  0.5000  0.3770  1.0
  Hg  Hg7  4  0.1093  0.0000  0.2605  1.0
]