data_[Nd9Zn3Cu24]
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 [R3m]
_cell_length_a [5.2752]
_cell_length_b [5.2752]
_cell_length_c [25.8792]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Nd3ZnCu8]
_chemical_formula_sum '[Nd9 Zn3 Cu24]'
_cell_volume [623.6792]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3799  1.0
  Nd  Nd1  3  0.0000  0.0000  0.5062  1.0
  Nd  Nd2  3  0.0000  0.0000  0.9913  1.0
  Zn  Zn3  3  0.0000  0.0000  0.8685  1.0
  Cu  Cu4  9  0.0034  0.5017  0.4401  1.0
  Cu  Cu5  9  0.0084  0.5042  0.9362  1.0
  Cu  Cu6  3  0.0000  0.0000  0.1889  1.0
  Cu  Cu7  3  0.0000  0.0000  0.6866  1.0
]