data_[Tl4Cd2In4Hg2]
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
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.9362]
_cell_length_b [10.7377]
_cell_length_c [6.4967]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Tl2CdIn2Hg]
_chemical_formula_sum '[Tl4 Cd2 In4 Hg2]'
_cell_volume [344.3432]
_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  0.1382  0.3708  1.0
  Tl  Tl1  2  0.5000  0.0615  0.9963  1.0
  Cd  Cd2  2  0.0000  0.4603  0.4946  1.0
  In  In3  2  0.0000  0.2556  0.8920  1.0
  In  In4  2  0.5000  0.3839  0.1714  1.0
  Hg  Hg5  2  0.5000  0.2935  0.6205  1.0
]