data_[Tl16In4Hg2]
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 [13.8634]
_cell_length_b [9.6579]
_cell_length_c [5.6156]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2766]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl8In2Hg]
_chemical_formula_sum '[Tl16 In4 Hg2]'
_cell_volume [728.6582]
_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  8  0.0772  0.2746  0.7940  1
  Tl  Tl1  4  0.1118  0.5000  0.3138  1
  Tl  Tl2  4  0.2422  0.0000  0.0948  1
  In  In3  4  0.1275  0.0000  0.5204  1
  Hg  Hg4  2  0.0000  0.0000  0.0000  1
]