data_[Sr3Al6Pd9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Al  1.6100  1.2500  0.6750
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [9.7577]
_cell_length_b [9.7577]
_cell_length_c [4.1223]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [191]
_chemical_formula_structural [SrAl2Pd3]
_chemical_formula_sum '[Sr3 Al6 Pd9]'
_cell_volume [339.9060]
_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
[
  Sr  Sr0  2  0.3333  0.6667  0.0000  1
  Sr  Sr1  1  0.0000  0.0000  0.5000  1
  Al  Al2  6  0.1858  0.8142  0.5000  1
  Pd  Pd3  6  0.0000  0.2955  0.0000  1
  Pd  Pd4  3  0.0000  0.5000  0.5000  1
]