data_[Pr12Nd4Rh12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Nd  1.1400  1.8500  1.2765
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.4529]
_cell_length_b [10.7115]
_cell_length_c [7.2374]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3765]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3NdRh3]
_chemical_formula_sum '[Pr12 Nd4 Rh12]'
_cell_volume [732.8056]
_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  0.1819  0.5000  1.0
  Pr  Pr1  4  0.0000  0.2466  0.0000  1.0
  Pr  Pr2  4  0.1718  0.5000  0.3718  1.0
  Nd  Nd3  4  0.2464  0.0000  0.1281  1.0
  Rh  Rh4  8  0.2472  0.2503  0.7266  1.0
  Rh  Rh5  4  0.0624  0.0000  0.8040  1.0
]