data_[Mg8Cd20Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [10.3975]
_cell_length_b [15.4883]
_cell_length_c [5.1954]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Mg2Cd5Hg2]
_chemical_formula_sum '[Mg8 Cd20 Hg8]'
_cell_volume [836.6654]
_cell_formula_units_Z [4]
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
[
  Mg  Mg0  4  0.0000  0.0000  0.5000  1
  Mg  Mg1  4  0.0000  0.2500  0.5828  1
  Cd  Cd2  8  0.2500  0.0481  0.2500  1
  Cd  Cd3  8  0.2500  0.1492  0.7500  1
  Cd  Cd4  4  0.2500  0.2500  0.2500  1
  Hg  Hg5  8  0.0000  0.1342  0.0684  1
]