data_[Li2Mg4Ga2Hg12]
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
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.5401]
_cell_length_b [8.0683]
_cell_length_c [7.3289]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1890]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiMg2GaHg6]
_chemical_formula_sum '[Li2 Mg4 Ga2 Hg12]'
_cell_volume [479.7531]
_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  0.0000  0.5000  0.0000  1.0
  Mg  Mg1  4  0.1734  0.0000  0.1815  1.0
  Ga  Ga2  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg3  8  0.1058  0.2232  0.8144  1.0
  Hg  Hg4  4  0.1437  0.5000  0.4084  1.0
]