data_[Tl2Cd8Hg2]
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 [Pmma]
_cell_length_a [8.7484]
_cell_length_b [4.5054]
_cell_length_c [7.8113]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [TlCd4Hg]
_chemical_formula_sum '[Tl2 Cd8 Hg2]'
_cell_volume [307.8861]
_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  2  0.2500  0.0000  0.3514  1
  Cd  Cd1  4  0.0229  0.5000  0.6878  1
  Cd  Cd2  2  0.0000  0.0000  0.0000  1
  Cd  Cd3  2  0.2500  0.5000  0.0353  1
  Hg  Hg4  2  0.2500  0.0000  0.7424  1
]