data_[Pr16Ni2Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ni  1.9100  1.3500  0.7400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.1220]
_cell_length_b [12.5050]
_cell_length_c [6.5269]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.7102]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Pr8NiPd2]
_chemical_formula_sum '[Pr16 Ni2 Pd4]'
_cell_volume [686.8009]
_cell_formula_units_Z [2]
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  0.0002  0.1603  0.0375  1
  Pr  Pr1  4  0.2220  0.1388  0.6739  1
  Pr  Pr2  4  0.2737  0.3650  0.3860  1
  Pr  Pr3  2  0.1323  0.5000  0.8165  1
  Pr  Pr4  2  0.3653  0.0000  0.2170  1
  Ni  Ni5  2  0.4916  0.5000  0.7471  1
  Pd  Pd6  4  0.4925  0.1869  0.5124  1
]