data_[Pr3Al3Ga6Pd12]
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
  Ga  1.8100  1.3000  0.7600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.3565]
_cell_length_b [4.3565]
_cell_length_c [26.1222]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [PrAl(GaPd2)2]
_chemical_formula_sum '[Pr3 Al3 Ga6 Pd12]'
_cell_volume [429.3489]
_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  3  0.0000  0.0000  0.0000  1.0
  Al  Al1  3  -0.0000  -0.0000  0.5000  1.0
  Ga  Ga2  6  0.0000  0.0000  0.2428  1.0
  Pd  Pd3  6  0.0000  0.0000  0.1357  1.0
  Pd  Pd4  6  0.0000  0.0000  0.4049  1.0
]