data_[Pr12Sb4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sb  2.0500  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.0967]
_cell_length_b [4.2954]
_cell_length_c [8.7526]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.5831]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3SbPd]
_chemical_formula_sum '[Pr12 Sb4 Pd4]'
_cell_volume [604.9389]
_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  0.0402  0.0000  0.1958  1
  Pr  Pr1  4  0.1022  0.5000  0.5492  1
  Pr  Pr2  4  0.2468  0.0000  0.7974  1
  Sb  Sb3  4  0.1111  0.5000  0.9327  1
  Pd  Pd4  4  0.2047  0.0000  0.4247  1
]