data_[Tl4In12Hg2]
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 [16.2540]
_cell_length_b [9.4670]
_cell_length_c [3.2916]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.9402]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2In6Hg]
_chemical_formula_sum '[Tl4 In12 Hg2]'
_cell_volume [505.2995]
_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  0.1669  0.5000  0.0023  1
  In  In1  8  0.1645  0.1652  0.3846  1
  In  In2  4  0.0000  0.3284  0.5000  1
  Hg  Hg3  2  0.0000  0.0000  0.0000  1
]