data_[Cd4Hg2H2]
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 [P-1]
_cell_length_a [3.1823]
_cell_length_b [7.2825]
_cell_length_c [7.6807]
_cell_angle_alpha [105.8948]
_cell_angle_beta [99.7802]
_cell_angle_gamma [90.4460]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cd2HgH]
_chemical_formula_sum '[Cd4 Hg2 H2]'
_cell_volume [168.4293]
_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  2  0.0168  0.7063  0.0352  1
  Cd  Cd1  2  0.2007  0.5760  0.3651  1
  Hg  Hg2  2  0.1785  0.0836  0.3413  1
  H  H3  2  0.4930  0.8137  0.9690  1
]