data_[Tl10Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.7379]
_cell_length_b [3.7340]
_cell_length_c [8.1500]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4818]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Tl5Hg]
_chemical_formula_sum '[Tl10 Hg2]'
_cell_volume [371.7130]
_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  2  0.0553  0.0000  0.6126  1.0
  Tl  Tl1  2  0.1655  0.5000  0.3322  1.0
  Tl  Tl2  2  0.2195  0.5000  0.9409  1.0
  Tl  Tl3  2  0.3377  0.0000  0.6758  1.0
  Tl  Tl4  2  0.3897  0.0000  0.2712  1.0
  Hg  Hg5  2  0.4990  0.5000  0.0007  1.0
]