data_[Nd16Zn2Ni4]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3425]
_cell_length_b [5.2375]
_cell_length_c [6.8623]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5888]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8ZnNi2]
_chemical_formula_sum '[Nd16 Zn2 Ni4]'
_cell_volume [621.0987]
_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  0.0329  0.0000  0.7865  1
  Nd  Nd1  4  0.0941  0.5000  0.4783  1
  Nd  Nd2  4  0.1793  0.5000  0.0080  1
  Nd  Nd3  4  0.1967  0.0000  0.3458  1
  Zn  Zn4  2  0.0000  0.5000  0.0000  1
  Ni  Ni5  4  0.1705  0.0000  0.7285  1
]