data_[Li2Sm4Hg16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sm  1.1700  1.8500  1.2290
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.0577]
_cell_length_b [6.9518]
_cell_length_c [15.2423]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Li(SmHg4)2]
_chemical_formula_sum '[Li2 Sm4 Hg16]'
_cell_volume [535.9186]
_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  0.5000  1.0
  Sm  Sm1  4  0.0000  0.5000  0.2000  1.0
  Hg  Hg2  8  0.0000  0.2212  0.6270  1.0
  Hg  Hg3  4  0.0000  0.0000  0.1658  1.0
  Hg  Hg4  4  0.0000  0.2790  0.0000  1.0
]