data_[Tl2Hg3H2]
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 [3.5320]
_cell_length_b [5.5730]
_cell_length_c [8.4679]
_cell_angle_alpha [90.4796]
_cell_angle_beta [101.5051]
_cell_angle_gamma [90.2789]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tl2Hg3H2]
_chemical_formula_sum '[Tl2 Hg3 H2]'
_cell_volume [163.3228]
_cell_formula_units_Z [1]
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  0.1588  0.5419  0.3057  1
  Hg  Hg1  2  0.3231  0.9561  0.6564  1
  Hg  Hg2  1  0.0000  0.0000  0.0000  1
  H  H3  2  0.0146  0.3028  0.0070  1
]