data_[Pr8Ga12Pd20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ga  1.8100  1.3000  0.7600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [10.9002]
_cell_length_b [12.1832]
_cell_length_c [5.9283]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Pr2Ga3Pd5]
_chemical_formula_sum '[Pr8 Ga12 Pd20]'
_cell_volume [787.2680]
_cell_formula_units_Z [4]
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  0.2244  0.3615  0.5000  1.0
  Ga  Ga1  8  0.1012  0.3570  0.0000  1.0
  Ga  Ga2  4  0.0000  0.0000  0.2500  1.0
  Pd  Pd3  8  0.0000  0.2148  0.2500  1.0
  Pd  Pd4  8  0.1740  0.0939  0.5000  1.0
  Pd  Pd5  4  0.0000  0.5000  0.2500  1.0
]