data_[Li16Ga4Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.9007]
_cell_length_b [4.0695]
_cell_length_c [6.1525]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.5504]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li8Ga2Hg]
_chemical_formula_sum '[Li16 Ga4 Hg2]'
_cell_volume [366.7688]
_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  0.0511  0.0000  0.7364  1.0
  Li  Li1  4  0.0964  0.5000  0.4567  1.0
  Li  Li2  4  0.1370  0.0000  0.1962  1.0
  Li  Li3  4  0.1851  0.5000  0.9086  1.0
  Ga  Ga4  4  0.2276  0.0000  0.6288  1.0
  Hg  Hg5  2  0.0000  0.5000  0.0000  1.0
]