data_[Pr12Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0670]
_cell_length_b [10.7098]
_cell_length_c [15.1580]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pr3Pd4]
_chemical_formula_sum '[Pr12 Pd16]'
_cell_volume [660.2379]
_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  0.1633  0.0956  1
  Pr  Pr1  4  0.0000  0.4372  0.2500  1
  Pd  Pd2  8  0.0000  0.1203  0.6040  1
  Pd  Pd3  4  0.0000  0.2861  0.7500  1
  Pd  Pd4  4  0.0000  0.5000  0.0000  1
]