data_[Tl4In10Hg12]
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 [Pbam]
_cell_length_a [11.8256]
_cell_length_b [17.3509]
_cell_length_c [3.5208]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Tl2In5Hg6]
_chemical_formula_sum '[Tl4 In10 Hg12]'
_cell_volume [722.4223]
_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  0.1308  0.7651  0.0000  1
  In  In1  4  0.1163  0.2290  0.5000  1
  In  In2  4  0.1759  0.9413  0.5000  1
  In  In3  2  0.0000  0.5000  0.5000  1
  Hg  Hg4  4  0.0575  0.0810  0.0000  1
  Hg  Hg5  4  0.1114  0.3762  0.0000  1
  Hg  Hg6  4  0.1990  0.6032  0.5000  1
]