data_[Li16Cu2Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cu  1.9000  1.3500  0.8200
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.4781]
_cell_length_b [4.4253]
_cell_length_c [6.0976]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6027]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li8CuHg2]
_chemical_formula_sum '[Li16 Cu2 Hg4]'
_cell_volume [378.0528]
_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  4  0.0289  0.0000  0.7479  1.0
  Li  Li1  4  0.1002  0.5000  0.4296  1.0
  Li  Li2  4  0.1544  0.0000  0.1799  1.0
  Li  Li3  4  0.1662  0.5000  0.9055  1.0
  Cu  Cu4  2  0.0000  0.5000  0.0000  1.0
  Hg  Hg5  4  0.2086  0.0000  0.6555  1.0
]