data_[Li4Mg4Hg2]
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 [P2_1/m]
_cell_length_a [6.9012]
_cell_length_b [4.6636]
_cell_length_c [7.1080]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4613]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Li2Mg2Hg]
_chemical_formula_sum '[Li4 Mg4 Hg2]'
_cell_volume [221.5161]
_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  0.0780  0.2500  0.9488  1
  Li  Li1  2  0.3475  0.7500  0.4524  1
  Mg  Mg2  2  0.0123  0.2500  0.3490  1
  Mg  Mg3  2  0.3564  0.7500  0.9773  1
  Hg  Hg4  2  0.3065  0.2500  0.6951  1
]