data_[Li2Cd2In2Hg6]
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 [P2_1/m]
_cell_length_a [7.6749]
_cell_length_b [3.7779]
_cell_length_c [10.6884]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6876]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiCdInHg3]
_chemical_formula_sum '[Li2 Cd2 In2 Hg6]'
_cell_volume [289.9282]
_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  2  0.1539  0.2500  0.2867  1.0
  Cd  Cd1  2  0.3823  0.7500  0.8843  1.0
  In  In2  2  0.1280  0.2500  0.6341  1.0
  Hg  Hg3  2  0.0778  0.2500  0.9154  1.0
  Hg  Hg4  2  0.3381  0.7500  0.5022  1.0
  Hg  Hg5  2  0.3707  0.7500  0.2024  1.0
]