data_[Pr24Sn4Pd8]
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 [Immm]
_cell_length_a [9.6700]
_cell_length_b [10.3898]
_cell_length_c [10.8773]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Pr6SnPd2]
_chemical_formula_sum '[Pr24 Sn4 Pd8]'
_cell_volume [1092.8254]
_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  0.1989  0.2348  1.0
  Pr  Pr1  8  0.1997  0.5000  0.1747  1.0
  Pr  Pr2  8  0.2117  0.3160  0.5000  1.0
  Sn  Sn3  2  0.0000  0.0000  0.0000  1.0
  Sn  Sn4  2  0.0000  0.0000  0.5000  1.0
  Pd  Pd5  4  0.0000  0.3551  0.0000  1.0
  Pd  Pd6  4  0.0000  0.5000  0.3725  1.0
]