data_[Li5Hg3Sb4]
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 [P-1]
_cell_length_a [5.6278]
_cell_length_b [5.7088]
_cell_length_c [9.5020]
_cell_angle_alpha [105.3739]
_cell_angle_beta [96.0897]
_cell_angle_gamma [106.6774]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li5Hg3Sb4]
_chemical_formula_sum '[Li5 Hg3 Sb4]'
_cell_volume [276.4324]
_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  0.3568  0.1316  0.1183  1
  Li  Li1  2  0.3678  0.0443  0.6242  1
  Li  Li2  1  0.0000  0.5000  0.5000  1
  Hg  Hg3  2  0.3371  0.6207  0.0720  1
  Hg  Hg4  1  0.5000  0.5000  0.5000  1
  Sb  Sb5  2  0.0876  0.8296  0.3154  1
  Sb  Sb6  2  0.0916  0.7734  0.8066  1
]