data_[Li24Cd12Hg4]
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 [Cmc2_1]
_cell_length_a [10.5509]
_cell_length_b [14.2488]
_cell_length_c [5.0883]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Li6Cd3Hg]
_chemical_formula_sum '[Li24 Cd12 Hg4]'
_cell_volume [764.9638]
_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
[
  Li  Li0  8  0.1228  0.4420  0.4714  1
  Li  Li1  8  0.2227  0.2108  0.0629  1
  Li  Li2  4  0.0000  0.0365  0.2300  1
  Li  Li3  4  0.0000  0.2453  0.3786  1
  Cd  Cd4  8  0.2150  0.0890  0.5257  1
  Cd  Cd5  4  0.0000  0.3694  0.9465  1
  Hg  Hg6  4  0.0000  0.1627  0.8395  1
]