data_[Mg10Cd4Hg24]
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 [C2/m]
_cell_length_a [14.7968]
_cell_length_b [7.7257]
_cell_length_c [8.3091]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.5042]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg5(CdHg6)2]
_chemical_formula_sum '[Mg10 Cd4 Hg24]'
_cell_volume [936.8178]
_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
[
  Mg  Mg0  4  0.1678  0.5000  0.9722  1.0
  Mg  Mg1  4  0.2331  0.0000  0.5395  1.0
  Mg  Mg2  2  0.0000  0.0000  0.5000  1.0
  Cd  Cd3  4  0.0000  0.1956  0.0000  1.0
  Hg  Hg4  8  0.1095  0.3035  0.5516  1.0
  Hg  Hg5  8  0.1931  0.2036  0.2123  1.0
  Hg  Hg6  4  0.0170  0.5000  0.2260  1.0
  Hg  Hg7  4  0.1378  0.0000  0.8366  1.0
]