data_[Nd8Ag12Hg16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.6396]
_cell_length_b [9.9143]
_cell_length_c [15.1077]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Nd2Ag3Hg4]
_chemical_formula_sum '[Nd8 Ag12 Hg16]'
_cell_volume [844.7086]
_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  8  0.0000  0.0000  0.3662  1
  Ag  Ag1  8  0.2500  0.2500  0.0000  1
  Ag  Ag2  4  0.0000  0.0000  0.0000  1
  Hg  Hg3  16  0.0000  0.1613  0.1695  1
]