data_[Tl2Hg2H2]
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 [P-1]
_cell_length_a [3.4033]
_cell_length_b [3.4048]
_cell_length_c [14.3612]
_cell_angle_alpha [92.7948]
_cell_angle_beta [93.6283]
_cell_angle_gamma [119.2929]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlHgH]
_chemical_formula_sum '[Tl2 Hg2 H2]'
_cell_volume [144.2331]
_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  0.2712  0.9773  0.7205  1
  Hg  Hg1  2  0.2200  0.3575  0.0892  1
  H  H2  2  0.4920  0.4828  0.4736  1
]