data_[Na6Hg26]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [9.4153]
_cell_length_b [9.4428]
_cell_length_c [9.9412]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Na3Hg13]
_chemical_formula_sum '[Na6 Hg26]'
_cell_volume [883.8422]
_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  4  0.2598  0.0000  0.9809  1.0
  Na  Na1  2  0.0000  0.0000  0.2854  1.0
  Hg  Hg2  8  0.2482  0.2334  0.2526  1.0
  Hg  Hg3  4  0.0000  0.2251  0.0113  1.0
  Hg  Hg4  4  0.2497  0.0000  0.5180  1.0
  Hg  Hg5  4  0.5000  0.2453  0.4863  1.0
  Hg  Hg6  2  0.0000  0.0000  0.7484  1.0
  Hg  Hg7  2  0.5000  0.0000  0.2214  1.0
  Hg  Hg8  2  0.5000  0.0000  0.7415  1.0
]