data_[Pr16Al4Cu4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Al  1.6100  1.2500  0.6750
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.8822]
_cell_length_b [14.2682]
_cell_length_c [5.8196]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.6449]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr4AlCu]
_chemical_formula_sum '[Pr16 Al4 Cu4]'
_cell_volume [680.6708]
_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  8  0.1169  0.1907  0.5760  1.0
  Pr  Pr1  8  0.2066  0.4242  0.8443  1.0
  Al  Al2  4  0.0000  0.3813  0.2500  1.0
  Cu  Cu3  4  0.0000  0.0038  0.2500  1.0
]