data_[Pr12Ga12Pd8]
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 [Cmcm]
_cell_length_a [4.5846]
_cell_length_b [10.5112]
_cell_length_c [15.3125]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pr3Ga3Pd2]
_chemical_formula_sum '[Pr12 Ga12 Pd8]'
_cell_volume [737.9066]
_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  0.0000  0.0962  0.6079  1.0
  Pr  Pr1  4  0.0000  0.3757  0.7500  1.0
  Ga  Ga2  8  0.0000  0.3868  0.5390  1.0
  Ga  Ga3  4  0.0000  0.3308  0.2500  1.0
  Pd  Pd4  8  0.0000  0.1975  0.1014  1.0
]