data_[Pr4Cu40Rh8]
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
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.0296]
_cell_length_b [11.8853]
_cell_length_c [12.2057]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Pr(Cu5Rh)2]
_chemical_formula_sum '[Pr4 Cu40 Rh8]'
_cell_volume [729.6322]
_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  0.0000  0.0000  0.0000  1.0
  Cu  Cu1  16  0.0000  0.1112  0.3812  1.0
  Cu  Cu2  16  0.0000  0.1767  0.1781  1.0
  Cu  Cu3  8  0.2500  0.0000  0.2500  1.0
  Rh  Rh4  8  0.2500  0.2500  0.0000  1.0
]