data_[Nd16Hg2Au4]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.9311]
_cell_length_b [5.2692]
_cell_length_c [7.2232]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4917]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8HgAu2]
_chemical_formula_sum '[Nd16 Hg2 Au4]'
_cell_volume [687.2009]
_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  0.0252  0.0000  0.7698  1.0
  Nd  Nd1  4  0.0910  0.5000  0.4711  1.0
  Nd  Nd2  4  0.1723  0.5000  0.9883  1.0
  Nd  Nd3  4  0.1981  0.0000  0.3399  1.0
  Hg  Hg4  2  0.0000  0.5000  0.0000  1.0
  Au  Au5  4  0.1776  0.0000  0.7343  1.0
]