data_[Li16Ga4Hg4]
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 [Cmc2_1]
_cell_length_a [4.5549]
_cell_length_b [15.8081]
_cell_length_c [5.5074]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Li4GaHg]
_chemical_formula_sum '[Li16 Ga4 Hg4]'
_cell_volume [396.5504]
_cell_formula_units_Z [4]
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  0.0000  0.0464  0.5857  1.0
  Li  Li1  4  0.0000  0.2065  0.5257  1.0
  Li  Li2  4  0.0000  0.3038  0.8430  1.0
  Li  Li3  4  0.0000  0.4592  0.7491  1.0
  Ga  Ga4  4  0.0000  0.3633  0.2884  1.0
  Hg  Hg5  4  0.0000  0.1364  0.0747  1.0
]