data_[Tl2In16Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.8713]
_cell_length_b [14.0083]
_cell_length_c [5.7634]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.1445]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl(In4Hg)2]
_chemical_formula_sum '[Tl2 In16 Hg4]'
_cell_volume [631.5516]
_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  0.5000  1.0
  In  In1  8  0.2032  0.1162  0.1252  1.0
  In  In2  4  0.0000  0.2297  0.5000  1.0
  In  In3  4  0.1008  0.5000  0.3292  1.0
  Hg  Hg4  4  0.0000  0.3143  0.0000  1.0
]