data_[Tl24Hg4Pb10]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.0876]
_cell_length_b [6.7886]
_cell_length_c [11.9267]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.7479]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl12Hg2Pb5]
_chemical_formula_sum '[Tl24 Hg4 Pb10]'
_cell_volume [1192.2613]
_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  0.0539  0.2586  0.3036  1
  Tl  Tl1  8  0.2117  0.2487  0.1931  1
  Tl  Tl2  4  0.1075  0.5000  0.5959  1
  Tl  Tl3  4  0.1322  0.0000  0.8801  1
  Hg  Hg4  4  0.0000  0.2493  0.0000  1
  Pb  Pb5  4  0.1429  0.5000  0.9103  1
  Pb  Pb6  4  0.2313  0.0000  0.5321  1
  Pb  Pb7  2  0.0000  0.0000  0.5000  1
]