data_[Na12Hg10H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Hg  2.0000  1.5000  1.2450
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.0811]
_cell_length_b [7.5771]
_cell_length_c [15.1159]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Na6Hg5H]
_chemical_formula_sum '[Na12 Hg10 H2]'
_cell_volume [581.9616]
_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
[
  Na  Na0  8  0.0000  0.2185  0.8529  1
  Na  Na1  4  0.0000  0.2831  0.5000  1
  Hg  Hg2  4  0.0000  0.0000  0.3342  1
  Hg  Hg3  4  0.0000  0.5000  0.3021  1
  Hg  Hg4  2  0.0000  0.5000  0.0000  1
  H  H5  2  0.0000  0.0000  0.0000  1
]