data_[Li4Cd8In4Hg20]
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
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.3978]
_cell_length_b [17.5635]
_cell_length_c [14.8668]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiCd2InHg5]
_chemical_formula_sum '[Li4 Cd8 In4 Hg20]'
_cell_volume [887.2189]
_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  4  0.0000  0.4414  0.3842  1.0
  Cd  Cd1  4  0.0000  0.1013  0.3594  1.0
  Cd  Cd2  4  0.0000  0.1327  0.7142  1.0
  In  In3  4  0.0000  0.1725  0.0300  1.0
  Hg  Hg4  4  0.0000  0.0025  0.0256  1.0
  Hg  Hg5  4  0.0000  0.2810  0.3591  1.0
  Hg  Hg6  4  0.0000  0.3082  0.7057  1.0
  Hg  Hg7  4  0.0000  0.3453  0.0339  1.0
  Hg  Hg8  4  0.0000  0.4851  0.7117  1.0
]