data_[Tl2In8Hg10]
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 [Pmmn]
_cell_length_a [6.4880]
_cell_length_b [11.1121]
_cell_length_c [8.3793]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [TlIn4Hg5]
_chemical_formula_sum '[Tl2 In8 Hg10]'
_cell_volume [604.1085]
_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  0.0000  0.0000  0.0970  1.0
  In  In1  4  0.0000  0.2707  0.0006  1.0
  In  In2  4  0.2445  0.0000  0.4628  1.0
  Hg  Hg3  8  0.2499  0.2860  0.3189  1.0
  Hg  Hg4  2  0.0000  0.5000  0.8400  1.0
]