data_[Pr12Si8Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Si  1.9000  1.1000  0.5400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.9313]
_cell_length_b [4.3778]
_cell_length_c [11.8333]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Pr3Si2Pd]
_chemical_formula_sum '[Pr12 Si8 Pd4]'
_cell_volume [618.0807]
_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  0.0565  0.2500  0.3749  1
  Pr  Pr1  4  0.1213  0.7500  0.9396  1
  Pr  Pr2  4  0.2086  0.2500  0.6926  1
  Si  Si3  4  0.0233  0.7500  0.1860  1
  Si  Si4  4  0.1913  0.7500  0.5047  1
  Pd  Pd5  4  0.1288  0.2500  0.1302  1
]