data_[Li16Mg4Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4965]
_cell_length_b [5.5933]
_cell_length_c [6.2460]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1658]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li8Mg2Hg]
_chemical_formula_sum '[Li16 Mg4 Hg2]'
_cell_volume [421.3740]
_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  8  0.0813  0.2567  0.6825  1.0
  Li  Li1  4  0.0934  0.5000  0.2001  1.0
  Li  Li2  4  0.2351  0.0000  0.9644  1.0
  Mg  Mg3  4  0.1991  0.0000  0.3925  1.0
  Hg  Hg4  2  0.0000  0.0000  0.0000  1.0
]