data_[Tl2Cd10Hg12]
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 [5.4045]
_cell_length_b [13.6677]
_cell_length_c [8.9199]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6775]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlCd5Hg6]
_chemical_formula_sum '[Tl2 Cd10 Hg12]'
_cell_volume [631.1703]
_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  0.0000  1.0
  Cd  Cd1  4  0.0000  0.3192  0.0000  1.0
  Cd  Cd2  4  0.0000  0.3530  0.5000  1.0
  Cd  Cd3  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg4  8  0.0086  0.1750  0.7325  1.0
  Hg  Hg5  4  0.0368  0.5000  0.2333  1.0
]