data_[Li14Hg2Sb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Hg  2.0000  1.5000  1.2450
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9111]
_cell_length_b [5.0799]
_cell_length_c [10.4998]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.0836]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li7HgSb4]
_chemical_formula_sum '[Li14 Hg2 Sb8]'
_cell_volume [526.1795]
_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  4  0.0916  0.0000  0.4482  1.0
  Li  Li1  4  0.1888  0.5000  0.9026  1.0
  Li  Li2  4  0.2347  0.5000  0.6507  1.0
  Li  Li3  2  0.0000  0.5000  0.0000  1.0
  Hg  Hg4  2  0.0000  0.0000  0.0000  1.0
  Sb  Sb5  4  0.1021  0.5000  0.3156  1.0
  Sb  Sb6  4  0.2007  0.0000  0.7702  1.0
]