data_[Tl2In12Hg2]
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 [Amm2]
_cell_length_a [5.6758]
_cell_length_b [6.7009]
_cell_length_c [11.5730]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [TlIn6Hg]
_chemical_formula_sum '[Tl2 In12 Hg2]'
_cell_volume [440.1548]
_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  0.5000  0.0000  0.4126  1
  In  In1  4  0.0000  0.2462  0.8346  1
  In  In2  4  0.5000  0.2489  0.6641  1
  In  In3  2  0.0000  0.0000  0.5834  1
  In  In4  2  0.5000  0.0000  0.9174  1
  Hg  Hg5  2  0.0000  0.0000  0.0887  1
]