data_[Pr3Nd6Cu27]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Nd  1.1400  1.8500  1.2765
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.2435]
_cell_length_b [5.2435]
_cell_length_c [25.0557]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [PrNd2Cu9]
_chemical_formula_sum '[Pr3 Nd6 Cu27]'
_cell_volume [596.6033]
_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
[
  Pr  Pr0  3  0.0000  0.0000  0.0000  1.0
  Nd  Nd1  6  0.0000  0.0000  0.1440  1.0
  Cu  Cu2  18  0.0058  0.5029  0.0808  1.0
  Cu  Cu3  6  0.0000  0.0000  0.3313  1.0
  Cu  Cu4  3  -0.0000  -0.0000  0.5000  1.0
]