data_[Pr16Pd4Ru6]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [10.0854]
_cell_length_b [14.3693]
_cell_length_c [5.0172]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Pr8Pd2Ru3]
_chemical_formula_sum '[Pr16 Pd4 Ru6]'
_cell_volume [727.0888]
_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  8  0.2486  0.1188  0.5000  1
  Pr  Pr1  4  0.0000  0.1206  0.0000  1
  Pr  Pr2  4  0.0000  0.3824  0.0000  1
  Pd  Pd3  4  0.0000  0.2515  0.5000  1
  Ru  Ru4  4  0.2488  0.0000  0.0000  1
  Ru  Ru5  2  0.0000  0.0000  0.5000  1
]