data_[Tl6In14Hg8]
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 [18.4681]
_cell_length_b [4.7352]
_cell_length_c [11.3320]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.5805]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl3In7Hg4]
_chemical_formula_sum '[Tl6 In14 Hg8]'
_cell_volume [795.7756]
_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  0.2027  0.5000  0.2022  1
  Tl  Tl1  2  0.0000  0.0000  0.5000  1
  In  In2  4  0.0037  0.5000  0.8240  1
  In  In3  4  0.1633  0.0000  0.9493  1
  In  In4  4  0.1640  0.5000  0.5242  1
  In  In5  2  0.0000  0.0000  0.0000  1
  Hg  Hg6  4  0.1358  0.5000  0.7522  1
  Hg  Hg7  4  0.1374  0.0000  0.3448  1
]