data_[Pr4Sb8Pd12]
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 [16.6134]
_cell_length_b [4.6708]
_cell_length_c [6.6880]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5417]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrSb2Pd3]
_chemical_formula_sum '[Pr4 Sb8 Pd12]'
_cell_volume [506.5946]
_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  0.1189  0.0000  0.1617  1.0
  Sb  Sb1  4  0.0219  0.5000  0.7787  1.0
  Sb  Sb2  4  0.2321  0.0000  0.7013  1.0
  Pd  Pd3  4  0.0703  0.0000  0.6635  1.0
  Pd  Pd4  4  0.1330  0.5000  0.4763  1.0
  Pd  Pd5  4  0.1989  0.5000  0.8967  1.0
]