data_[Li14Mg4Hg4]
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 [7.3366]
_cell_length_b [8.6481]
_cell_length_c [7.2158]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6807]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li7(MgHg)2]
_chemical_formula_sum '[Li14 Mg4 Hg4]'
_cell_volume [442.8789]
_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  0.2007  0.3104  0.1727  1.0
  Li  Li1  4  0.1603  0.0000  0.4227  1.0
  Li  Li2  2  0.0000  0.0000  0.0000  1.0
  Mg  Mg3  4  0.0000  0.3044  0.5000  1.0
  Hg  Hg4  4  0.1152  0.5000  0.8388  1.0
]