data_[Li4In16Hg4]
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
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.0487]
_cell_length_b [22.0823]
_cell_length_c [5.6133]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiIn4Hg]
_chemical_formula_sum '[Li4 In16 Hg4]'
_cell_volume [625.8053]
_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  0.3967  0.0119  1.0
  In  In1  4  0.0000  0.0398  0.6864  1.0
  In  In2  4  0.0000  0.2602  0.0019  1.0
  In  In3  4  0.0000  0.3246  0.4936  1.0
  In  In4  4  0.0000  0.4612  0.5171  1.0
  Hg  Hg5  4  0.0000  0.1471  0.3557  1.0
]