data_[Nd6Hg4Au4]
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 [8.9382]
_cell_length_b [5.1720]
_cell_length_c [9.3626]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5889]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3(HgAu)2]
_chemical_formula_sum '[Nd6 Hg4 Au4]'
_cell_volume [412.5847]
_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  0.2275  0.0000  0.6694  1
  Nd  Nd1  2  0.0000  0.0000  0.0000  1
  Hg  Hg2  4  0.1176  0.5000  0.8475  1
  Au  Au3  4  0.1052  0.0000  0.3324  1
]