data_[Pr9Sn3Pd24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.5361]
_cell_length_b [5.5361]
_cell_length_c [27.0967]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Pr3SnPd8]
_chemical_formula_sum '[Pr9 Sn3 Pd24]'
_cell_volume [719.1997]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0114  1.0
  Pr  Pr1  3  0.0000  0.0000  0.4912  1.0
  Pr  Pr2  3  0.0000  0.0000  0.6223  1.0
  Sn  Sn3  3  0.0000  0.0000  0.1391  1.0
  Pd  Pd4  9  0.0032  0.5016  0.5617  1.0
  Pd  Pd5  9  0.1682  0.8318  0.3933  1.0
  Pd  Pd6  3  0.0000  0.0000  0.3107  1.0
  Pd  Pd7  3  0.0000  0.0000  0.8102  1.0
]