data_[Nd16Zn2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Zn  1.6500  1.3500  0.8800
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.7533]
_cell_length_b [5.2456]
_cell_length_c [7.0921]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3233]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8ZnAu2]
_chemical_formula_sum '[Nd16 Zn2 Au4]'
_cell_volume [666.0158]
_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  0.0242  0.0000  0.7801  1.0
  Nd  Nd1  4  0.0905  0.5000  0.4665  1.0
  Nd  Nd2  4  0.1695  0.5000  0.9892  1.0
  Nd  Nd3  4  0.1983  0.0000  0.3347  1.0
  Zn  Zn4  2  0.0000  0.5000  0.0000  1.0
  Au  Au5  4  0.1771  0.0000  0.7358  1.0
]