data_[Tl4In4Hg16]
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 [Cmcm]
_cell_length_a [5.4206]
_cell_length_b [15.1826]
_cell_length_c [8.7631]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [TlInHg4]
_chemical_formula_sum '[Tl4 In4 Hg16]'
_cell_volume [721.1997]
_cell_formula_units_Z [4]
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  0.0000  0.3713  0.7500  1.0
  In  In1  4  0.0000  0.1521  0.7500  1.0
  Hg  Hg2  8  0.0000  0.2164  0.0775  1.0
  Hg  Hg3  4  0.0000  0.0000  0.0000  1.0
  Hg  Hg4  4  0.0000  0.4243  0.2500  1.0
]