data_[Tl24Cd4Hg10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.4159]
_cell_length_b [8.8498]
_cell_length_c [8.7830]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2227]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl12Cd2Hg5]
_chemical_formula_sum '[Tl24 Cd4 Hg10]'
_cell_volume [1179.2321]
_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  0.1434  0.2839  0.4264  1.0
  Tl  Tl1  8  0.1573  0.1844  0.8469  1.0
  Tl  Tl2  4  0.0335  0.5000  0.6889  1.0
  Tl  Tl3  4  0.0591  0.0000  0.1749  1.0
  Cd  Cd4  4  0.0000  0.3159  0.0000  1.0
  Hg  Hg5  4  0.1622  0.5000  0.1261  1.0
  Hg  Hg6  4  0.2402  0.5000  0.7528  1.0
  Hg  Hg7  2  0.0000  0.0000  0.5000  1.0
]