data_[Nd16Hg4Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Hg  2.0000  1.5000  1.2450
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [9.2115]
_cell_length_b [9.2115]
_cell_length_c [9.2895]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [122]
_chemical_formula_structural [Nd4HgGe2]
_chemical_formula_sum '[Nd16 Hg4 Ge8]'
_cell_volume [788.2310]
_cell_formula_units_Z [4]
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
[
  Nd  Nd0  16  0.0723  0.6756  0.9343  1.0
  Hg  Hg1  4  0.0000  0.0000  0.0000  1.0
  Ge  Ge2  8  0.1318  0.7500  0.6250  1.0
]