data_[Li4Cd24Hg10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [13.5711]
_cell_length_b [8.8303]
_cell_length_c [7.3776]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.2560]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Cd12Hg5]
_chemical_formula_sum '[Li4 Cd24 Hg10]'
_cell_volume [881.6693]
_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
[
  Li  Li0  4  0.0000  0.3075  0.0000  1.0
  Cd  Cd1  8  0.1135  0.2774  0.3460  1.0
  Cd  Cd2  8  0.1596  0.1997  0.7711  1.0
  Cd  Cd3  4  0.0544  0.5000  0.6884  1.0
  Cd  Cd4  4  0.1029  0.0000  0.0878  1.0
  Hg  Hg5  4  0.1758  0.5000  0.0435  1.0
  Hg  Hg6  4  0.2409  0.0000  0.4470  1.0
  Hg  Hg7  2  0.0000  0.0000  0.5000  1.0
]