data_[Na2Nd4Hg16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Nd  1.1400  1.8500  1.2765
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.4680]
_cell_length_b [5.1648]
_cell_length_c [7.3681]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.3115]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na(NdHg4)2]
_chemical_formula_sum '[Na2 Nd4 Hg16]'
_cell_volume [575.5315]
_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  0.0000  1.0
  Nd  Nd1  4  0.2028  0.0000  0.6843  1.0
  Hg  Hg2  4  0.0068  0.0000  0.7174  1.0
  Hg  Hg3  4  0.1226  0.5000  0.4245  1.0
  Hg  Hg4  4  0.1490  0.5000  0.8706  1.0
  Hg  Hg5  4  0.1584  0.0000  0.1659  1.0
]