data_[Tl4Cd10Hg24]
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 [16.5137]
_cell_length_b [6.6592]
_cell_length_c [10.1837]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9440]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2Cd5Hg12]
_chemical_formula_sum '[Tl4 Cd10 Hg24]'
_cell_volume [1099.5089]
_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  0.0000  0.2473  0.0000  1.0
  Cd  Cd1  4  0.1371  0.5000  0.8774  1.0
  Cd  Cd2  4  0.2030  0.5000  0.3952  1.0
  Cd  Cd3  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg4  8  0.1453  0.2508  0.6189  1.0
  Hg  Hg5  8  0.2060  0.2510  0.1296  1.0
  Hg  Hg6  4  0.0200  0.5000  0.3289  1.0
  Hg  Hg7  4  0.0951  0.0000  0.2860  1.0
]