data_[Li2Hg10]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.7845]
_cell_length_b [3.4517]
_cell_length_c [7.5831]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5477]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiHg5]
_chemical_formula_sum '[Li2 Hg10]'
_cell_volume [292.4303]
_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  0.2853  0.0000  0.0624  1.0
  Hg  Hg1  2  0.1155  0.5000  0.7807  1.0
  Hg  Hg2  2  0.1836  0.5000  0.2751  1.0
  Hg  Hg3  2  0.3103  0.0000  0.6380  1.0
  Hg  Hg4  2  0.4604  0.5000  0.9937  1.0
  Hg  Hg5  2  0.4782  0.5000  0.4168  1.0
]