data_[Nd6Zn16Cu6]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.4520]
_cell_length_b [8.8923]
_cell_length_c [13.0671]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Nd3Zn8Cu3]
_chemical_formula_sum '[Nd6 Zn16 Cu6]'
_cell_volume [517.3088]
_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  0.0000  0.0000  0.2014  1.0
  Nd  Nd1  2  0.0000  0.0000  0.5000  1.0
  Zn  Zn2  8  0.0000  0.2904  0.3729  1.0
  Zn  Zn3  8  0.0000  0.3555  0.1590  1.0
  Cu  Cu4  4  0.0000  0.1848  0.0000  1.0
  Cu  Cu5  2  0.0000  0.5000  0.5000  1.0
]