data_[Pr4Si6Pd2]
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 [P6/mmm]
_cell_length_a [8.2948]
_cell_length_b [8.2948]
_cell_length_c [4.3026]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [191]
_chemical_formula_structural [Pr2Si3Pd]
_chemical_formula_sum '[Pr4 Si6 Pd2]'
_cell_volume [256.3780]
_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  3  0.0000  0.5000  0.5000  1
  Pr  Pr1  1  0.0000  0.0000  0.5000  1
  Si  Si2  6  0.1656  0.3312  0.0000  1
  Pd  Pd3  2  0.3333  0.6667  0.0000  1
]