data_[Pr12Cu8Rh12]
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 [Cmcm]
_cell_length_a [4.2705]
_cell_length_b [10.8737]
_cell_length_c [14.3471]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pr3Cu2Rh3]
_chemical_formula_sum '[Pr12 Cu8 Rh12]'
_cell_volume [666.2280]
_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  0.0000  0.0933  0.6053  1.0
  Pr  Pr1  4  0.0000  0.3668  0.7500  1.0
  Cu  Cu2  8  0.0000  0.2092  0.0974  1.0
  Rh  Rh3  8  0.0000  0.3925  0.5427  1.0
  Rh  Rh4  4  0.0000  0.3489  0.2500  1.0
]