data_[Tl12Hg2H4]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.9110]
_cell_length_b [15.5496]
_cell_length_c [3.3710]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.6427]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl6HgH2]
_chemical_formula_sum '[Tl12 Hg2 H4]'
_cell_volume [466.5902]
_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  0.1856  0.3749  0.9584  1
  Tl  Tl1  4  0.0000  0.1970  0.5000  1
  Hg  Hg2  2  0.0000  0.0000  0.0000  1
  H  H3  4  0.1495  0.5000  0.7875  1
]