data_[Tl24In4Hg10]
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 [14.0274]
_cell_length_b [10.3067]
_cell_length_c [8.6728]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6384]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl12In2Hg5]
_chemical_formula_sum '[Tl24 In4 Hg10]'
_cell_volume [1165.5222]
_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  8  0.1146  0.2135  0.3822  1.0
  Tl  Tl1  8  0.1759  0.2193  0.7964  1.0
  Tl  Tl2  4  0.0494  0.5000  0.7257  1.0
  Tl  Tl3  4  0.1432  0.0000  0.0656  1.0
  In  In4  4  0.0000  0.2712  0.0000  1.0
  Hg  Hg5  4  0.1579  0.5000  0.1407  1.0
  Hg  Hg6  4  0.2072  0.5000  0.5303  1.0
  Hg  Hg7  2  0.0000  0.0000  0.5000  1.0
]