data_[Pr4Cu24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.0895]
_cell_length_b [5.0727]
_cell_length_c [10.1310]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [PrCu6]
_chemical_formula_sum '[Pr4 Cu24]'
_cell_volume [415.7353]
_cell_formula_units_Z [4]
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  4  0.2402  0.7500  0.9364  1
  Cu  Cu1  8  0.0657  0.5051  0.6910  1
  Cu  Cu2  4  0.0626  0.2500  0.9032  1
  Cu  Cu3  4  0.0968  0.7500  0.4834  1
  Cu  Cu4  4  0.1469  0.2500  0.1423  1
  Cu  Cu5  4  0.1822  0.7500  0.2453  1
]