data_[Li4Hg2Sb2]
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 [Cm]
_cell_length_a [10.2100]
_cell_length_b [3.2801]
_cell_length_c [5.0417]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.5276]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Li2HgSb]
_chemical_formula_sum '[Li4 Hg2 Sb2]'
_cell_volume [168.0614]
_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  0.0051  0.0000  0.0454  1.0
  Li  Li1  2  0.2434  0.0000  0.7187  1.0
  Hg  Hg2  2  0.2481  0.5000  0.1860  1.0
  Sb  Sb3  2  0.0034  0.5000  0.5499  1.0
]