data_[Tl24Hg10Sb4]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5859]
_cell_length_b [9.5405]
_cell_length_c [8.6234]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7081]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl12Hg5Sb2]
_chemical_formula_sum '[Tl24 Hg10 Sb4]'
_cell_volume [1199.9047]
_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  0.1233  0.2990  0.6700  1.0
  Tl  Tl1  8  0.1441  0.1793  0.2454  1.0
  Tl  Tl2  4  0.0642  0.5000  0.3218  1.0
  Tl  Tl3  4  0.0868  0.0000  0.8783  1.0
  Hg  Hg4  4  0.2054  0.5000  0.9899  1.0
  Hg  Hg5  4  0.2284  0.0000  0.5751  1.0
  Hg  Hg6  2  0.0000  0.0000  0.5000  1.0
  Sb  Sb7  4  0.0000  0.3231  0.0000  1.0
]