data_[Nd4Ag4Hg16]
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 [Cmc2_1]
_cell_length_a [5.0534]
_cell_length_b [16.0336]
_cell_length_c [7.2692]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [NdAgHg4]
_chemical_formula_sum '[Nd4 Ag4 Hg16]'
_cell_volume [588.9746]
_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  4  0.0000  0.1715  0.5625  1
  Ag  Ag1  4  0.0000  0.3450  0.7712  1
  Hg  Hg2  4  0.0000  0.0181  0.2557  1
  Hg  Hg3  4  0.0000  0.1993  0.0747  1
  Hg  Hg4  4  0.0000  0.3514  0.3610  1
  Hg  Hg5  4  0.0000  0.4738  0.0415  1
]