data_[Tl2Cd10Hg14]
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 [Imm2]
_cell_length_a [6.3327]
_cell_length_b [10.3460]
_cell_length_c [10.5513]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [TlCd5Hg7]
_chemical_formula_sum '[Tl2 Cd10 Hg14]'
_cell_volume [691.3002]
_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  0.0000  0.0000  0.9721  1.0
  Cd  Cd1  8  0.2484  0.2451  0.7637  1.0
  Cd  Cd2  2  0.0000  0.5000  0.7574  1.0
  Hg  Hg3  4  0.0000  0.3211  0.5171  1.0
  Hg  Hg4  4  0.0000  0.3367  0.0109  1.0
  Hg  Hg5  2  0.0000  0.0000  0.2946  1.0
  Hg  Hg6  2  0.0000  0.0000  0.5919  1.0
  Hg  Hg7  2  0.0000  0.5000  0.2732  1.0
]