data_[Li3Y3Cd6Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Y  1.2200  1.8000  1.0400
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.9991]
_cell_length_b [4.9991]
_cell_length_c [24.8316]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [LiY(CdHg2)2]
_chemical_formula_sum '[Li3 Y3 Cd6 Hg12]'
_cell_volume [537.4162]
_cell_formula_units_Z [3]
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  3  -0.0000  -0.0000  0.5000  1.0
  Y  Y1  3  0.0000  0.0000  0.0000  1.0
  Cd  Cd2  6  0.0000  0.0000  0.2515  1.0
  Hg  Hg3  6  0.0000  0.0000  0.1301  1.0
  Hg  Hg4  6  0.0000  0.0000  0.3820  1.0
]