data_[Li4In8Ga4Hg20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  In  1.7800  1.5500  0.9400
  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 [4.2835]
_cell_length_b [16.7812]
_cell_length_c [12.5040]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiIn2GaHg5]
_chemical_formula_sum '[Li4 In8 Ga4 Hg20]'
_cell_volume [898.8238]
_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  0.4256  0.4479  1.0
  In  In1  4  0.0000  0.0806  0.3279  1.0
  In  In2  4  0.0000  0.1691  0.6996  1.0
  Ga  Ga3  4  0.0000  0.1922  0.0214  1.0
  Hg  Hg4  4  0.0000  0.0081  0.0538  1.0
  Hg  Hg5  4  0.0000  0.2646  0.3675  1.0
  Hg  Hg6  4  0.0000  0.3489  0.6669  1.0
  Hg  Hg7  4  0.0000  0.3643  0.0046  1.0
  Hg  Hg8  4  0.0000  0.4642  0.2345  1.0
]