data_[Sn1Hg6H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  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 [6.2004]
_cell_length_b [6.2037]
_cell_length_c [6.2644]
_cell_angle_alpha [67.9472]
_cell_angle_beta [65.4067]
_cell_angle_gamma [80.3973]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sn(Hg3H)2]
_chemical_formula_sum '[Sn1 Hg6 H2]'
_cell_volume [203.0574]
_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
[
  Sn  Sn0  1  0.0000  0.0000  0.0000  1
  Hg  Hg1  2  0.1104  0.2542  0.4605  1
  Hg  Hg2  2  0.2650  0.5559  0.9410  1
  Hg  Hg3  2  0.4701  0.8589  0.2465  1
  H  H4  2  0.3787  0.6911  0.5787  1
]