data_[Tl4In4Hg6]
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 [12.6698]
_cell_length_b [4.9724]
_cell_length_c [6.3265]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2028]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2In2Hg3]
_chemical_formula_sum '[Tl4 In4 Hg6]'
_cell_volume [398.5630]
_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  0.0770  0.5000  0.7742  1.0
  In  In1  4  0.1392  0.0000  0.1088  1.0
  Hg  Hg2  4  0.2280  0.5000  0.3325  1.0
  Hg  Hg3  2  0.0000  0.0000  0.5000  1.0
]