data_[Mg4Cd24Hg10]
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 [11.5466]
_cell_length_b [10.3987]
_cell_length_c [7.9074]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6018]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg2Cd12Hg5]
_chemical_formula_sum '[Mg4 Cd24 Hg10]'
_cell_volume [918.7732]
_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  0.0000  0.2746  0.0000  1.0
  Cd  Cd1  8  0.1118  0.2727  0.4103  1.0
  Cd  Cd2  8  0.1963  0.2461  0.8054  1.0
  Cd  Cd3  4  0.0549  0.5000  0.7037  1.0
  Cd  Cd4  4  0.0877  0.0000  0.8969  1.0
  Hg  Hg5  4  0.1598  0.5000  0.1386  1.0
  Hg  Hg6  4  0.1909  0.0000  0.3029  1.0
  Hg  Hg7  2  0.0000  0.0000  0.5000  1.0
]