data_[Cd4Hg6H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  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 [12.4710]
_cell_length_b [3.4140]
_cell_length_c [7.6556]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.7816]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd2Hg3H2]
_chemical_formula_sum '[Cd4 Hg6 H4]'
_cell_volume [324.2888]
_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
[
  Cd  Cd0  4  0.0665  0.5000  0.3321  1
  Hg  Hg1  4  0.1340  0.0000  0.6807  1
  Hg  Hg2  2  0.0000  0.0000  0.0000  1
  H  H3  4  0.2161  0.5000  0.2965  1
]