data_[Li2Mg2Cd4Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.7094]
_cell_length_b [6.9672]
_cell_length_c [8.1820]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.3847]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiMg(CdHg3)2]
_chemical_formula_sum '[Li2 Mg2 Cd4 Hg12]'
_cell_volume [500.0448]
_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  0.0000  0.5000  0.0000  1.0
  Mg  Mg1  2  0.0000  0.0000  0.5000  1.0
  Cd  Cd2  4  0.1048  0.0000  0.1961  1.0
  Hg  Hg3  8  0.1423  0.2633  0.8033  1.0
  Hg  Hg4  4  0.1662  0.5000  0.4022  1.0
]