data_[Li3Ga4Hg2]
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 [P-1]
_cell_length_a [4.7111]
_cell_length_b [4.8244]
_cell_length_c [8.7011]
_cell_angle_alpha [102.9166]
_cell_angle_beta [90.0084]
_cell_angle_gamma [119.0801]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li3(Ga2Hg)2]
_chemical_formula_sum '[Li3 Ga4 Hg2]'
_cell_volume [167.0803]
_cell_formula_units_Z [1]
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  0.4067  0.7765  0.6113  1.0
  Li  Li1  1  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  2  0.0822  0.1271  0.6600  1.0
  Ga  Ga3  2  0.3296  0.6549  0.9579  1.0
  Hg  Hg4  2  0.2329  0.5011  0.2829  1.0
]