data_[Na2Mg10Hg16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mg  1.3100  1.5000  0.8600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [8.6667]
_cell_length_b [8.6667]
_cell_length_c [8.7703]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [NaMg5Hg8]
_chemical_formula_sum '[Na2 Mg10 Hg16]'
_cell_volume [658.7564]
_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
[
  Na  Na0  2  0.0000  0.5000  0.7500  1
  Mg  Mg1  8  0.1345  0.2294  0.0997  1
  Mg  Mg2  2  0.0000  0.0000  0.5000  1
  Hg  Hg3  8  0.0720  0.3316  0.4305  1
  Hg  Hg4  8  0.0922  0.1609  0.7788  1
]