data_[Li9La6Mg36Hg3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  La  1.1000  1.9500  1.1720
  Mg  1.3100  1.5000  0.8600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [10.3235]
_cell_length_b [10.3235]
_cell_length_c [14.9860]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Li3La2Mg12Hg]
_chemical_formula_sum '[Li9 La6 Mg36 Hg3]'
_cell_volume [1383.1565]
_cell_formula_units_Z [3]
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  9  0.0000  0.5000  0.5000  1
  La  La1  6  0.0000  0.0000  0.3938  1
  Mg  Mg2  18  0.0189  0.5095  0.7010  1
  Mg  Mg3  18  0.0496  0.5248  0.9044  1
  Hg  Hg4  3  0.0000  0.0000  0.0000  1
]