data_[Na2Nd1Hg7]
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 [P3m1]
_cell_length_a [5.2045]
_cell_length_b [5.2045]
_cell_length_c [11.7595]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Na2NdHg7]
_chemical_formula_sum '[Na2 Nd1 Hg7]'
_cell_volume [275.8502]
_cell_formula_units_Z [1]
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  1  0.3333  0.6667  0.6623  1
  Na  Na1  1  0.6667  0.3333  0.2604  1
  Nd  Nd2  1  0.0000  0.0000  0.0260  1
  Hg  Hg3  1  0.0000  0.0000  0.3066  1
  Hg  Hg4  1  0.0000  0.0000  0.7494  1
  Hg  Hg5  1  0.3333  0.6667  0.1644  1
  Hg  Hg6  1  0.3333  0.6667  0.4136  1
  Hg  Hg7  1  0.3333  0.6667  0.9131  1
  Hg  Hg8  1  0.6667  0.3333  0.5558  1
  Hg  Hg9  1  0.6667  0.3333  0.9319  1
]