data_[Pr9Pd6Pt21]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.4757]
_cell_length_b [5.4757]
_cell_length_c [27.1063]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pr3Pd2Pt7]
_chemical_formula_sum '[Pr9 Pd6 Pt21]'
_cell_volume [703.8585]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1391  1.0
  Pr  Pr1  3  0.0000  0.0000  0.0000  1.0
  Pd  Pd2  6  0.0000  0.0000  0.3328  1.0
  Pt  Pt3  18  0.0027  0.5014  0.9155  1.0
  Pt  Pt4  3  -0.0000  -0.0000  0.5000  1.0
]