data_[Mg4Al2Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Al  1.6100  1.2500  0.6750
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.9659]
_cell_length_b [9.3923]
_cell_length_c [9.6495]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.7544]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Mg2AlHg6]
_chemical_formula_sum '[Mg4 Al2 Hg12]'
_cell_volume [427.4911]
_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
[
  Mg  Mg0  4  0.1478  0.0720  0.8001  1
  Al  Al1  2  0.5000  0.0000  0.5000  1
  Hg  Hg2  4  0.0736  0.1666  0.4713  1
  Hg  Hg3  4  0.3076  0.7204  0.4394  1
  Hg  Hg4  4  0.3272  0.0317  0.1677  1
]