data_[Pr6Al10Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Al  1.6100  1.2500  0.6750
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.2994]
_cell_length_b [13.6491]
_cell_length_c [9.4257]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Pr3Al5Pd6]
_chemical_formula_sum '[Pr6 Al10 Pd12]'
_cell_volume [553.1312]
_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  0.0000  0.2931  0.7231  1
  Pr  Pr1  2  0.0000  0.0000  0.8120  1
  Al  Al2  4  0.0000  0.1052  0.5012  1
  Al  Al3  4  0.0000  0.3284  0.0724  1
  Al  Al4  2  0.0000  0.0000  0.2472  1
  Pd  Pd5  4  0.0000  0.1385  0.0612  1
  Pd  Pd6  4  0.0000  0.3603  0.3480  1
  Pd  Pd7  2  0.0000  0.5000  0.5720  1
  Pd  Pd8  2  0.0000  0.5000  0.9162  1
]