data_[Li1Cd2Hg9]
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 [P-1]
_cell_length_a [4.4428]
_cell_length_b [5.0852]
_cell_length_c [13.1659]
_cell_angle_alpha [93.5191]
_cell_angle_beta [90.1139]
_cell_angle_gamma [94.8944]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiCd2Hg9]
_chemical_formula_sum '[Li1 Cd2 Hg9]'
_cell_volume [295.7972]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Cd  Cd1  2  0.0009  0.9993  0.6711  1
  Hg  Hg2  2  0.0020  0.4903  0.1615  1
  Hg  Hg3  2  0.4969  0.0012  0.1562  1
  Hg  Hg4  2  0.4986  0.4987  0.6690  1
  Hg  Hg5  1  0.0000  0.5000  0.5000  1
  Hg  Hg6  1  0.5000  0.0000  0.5000  1
  Hg  Hg7  1  0.5000  0.5000  0.0000  1
]