data_[Li8Mg6Hg2]
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 [Imm2]
_cell_length_a [5.7243]
_cell_length_b [10.0453]
_cell_length_c [5.7403]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Li4Mg3Hg]
_chemical_formula_sum '[Li8 Mg6 Hg2]'
_cell_volume [330.0817]
_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  0.0000  0.2596  0.0813  1
  Li  Li1  4  0.2494  0.5000  0.8446  1
  Mg  Mg2  4  0.0000  0.2626  0.5746  1
  Mg  Mg3  2  0.0000  0.0000  0.8561  1
  Hg  Hg4  2  0.0000  0.5000  0.2940  1
]