data_[Li6Hg4Sb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Hg  2.0000  1.5000  1.2450
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.7046]
_cell_length_b [9.2260]
_cell_length_c [5.6228]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Li3Hg2Sb]
_chemical_formula_sum '[Li6 Hg4 Sb2]'
_cell_volume [244.0516]
_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  2  0.0000  0.4028  0.4222  1.0
  Li  Li1  2  0.5000  0.0978  0.1449  1.0
  Li  Li2  2  0.5000  0.2432  0.6106  1.0
  Hg  Hg3  2  0.0000  0.2839  0.9152  1.0
  Hg  Hg4  2  0.5000  0.4236  0.1520  1.0
  Sb  Sb5  2  0.0000  0.0805  0.4563  1.0
]