data_[Tl8In6Hg8]
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 [9.9151]
_cell_length_b [4.8701]
_cell_length_c [13.4757]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Tl4In3Hg4]
_chemical_formula_sum '[Tl8 In6 Hg8]'
_cell_volume [650.7096]
_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  0.2589  0.0000  0.0888  1.0
  Tl  Tl1  2  0.0000  0.0000  0.5811  1.0
  Tl  Tl2  2  0.5000  0.0000  0.6165  1.0
  In  In3  4  0.2979  0.0000  0.3989  1.0
  In  In4  2  0.0000  0.0000  0.2775  1.0
  Hg  Hg5  4  0.2318  0.0000  0.7606  1.0
  Hg  Hg6  2  0.0000  0.0000  0.9267  1.0
  Hg  Hg7  2  0.5000  0.0000  0.9000  1.0
]