data_[Pr8Al20Cu12]
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 [Ibam]
_cell_length_a [10.3974]
_cell_length_b [11.9705]
_cell_length_c [5.9893]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Pr2Al5Cu3]
_chemical_formula_sum '[Pr8 Al20 Cu12]'
_cell_volume [745.4421]
_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  0.2447  0.3703  0.5000  1.0
  Al  Al1  8  0.0000  0.2479  0.2500  1.0
  Al  Al2  8  0.1413  0.1106  0.5000  1.0
  Al  Al3  4  0.0000  0.5000  0.2500  1.0
  Cu  Cu4  8  0.1244  0.3739  0.0000  1.0
  Cu  Cu5  4  0.0000  0.0000  0.2500  1.0
]