data_[Nd16Ag4Hg2]
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 [C2/m]
_cell_length_a [18.6237]
_cell_length_b [5.3308]
_cell_length_c [7.3580]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6526]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8Ag2Hg]
_chemical_formula_sum '[Nd16 Ag4 Hg2]'
_cell_volume [696.0955]
_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
[
  Nd  Nd0  4  0.0274  0.0000  0.7679  1.0
  Nd  Nd1  4  0.0911  0.5000  0.4630  1.0
  Nd  Nd2  4  0.1704  0.5000  0.9768  1.0
  Nd  Nd3  4  0.1963  0.0000  0.3199  1.0
  Ag  Ag4  4  0.1826  0.0000  0.7163  1.0
  Hg  Hg5  2  0.0000  0.5000  0.0000  1.0
]