data_[Tl4Cd4Sn2Hg14]
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
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2884]
_cell_length_b [6.1996]
_cell_length_c [17.3023]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4250]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2Cd2SnHg7]
_chemical_formula_sum '[Tl4 Cd4 Sn2 Hg14]'
_cell_volume [674.5283]
_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  0.1378  0.0000  0.3499  1.0
  Cd  Cd1  4  0.1286  0.5000  0.2933  1.0
  Sn  Sn2  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg3  8  0.1286  0.2473  0.8383  1.0
  Hg  Hg4  4  0.2283  0.5000  0.4687  1.0
  Hg  Hg5  2  0.0000  0.5000  0.0000  1.0
]