data_[Sr8Al4Pd12]
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 [Cmcm]
_cell_length_a [12.8445]
_cell_length_b [8.6497]
_cell_length_c [5.3680]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sr2AlPd3]
_chemical_formula_sum '[Sr8 Al4 Pd12]'
_cell_volume [596.3900]
_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
[
  Sr  Sr0  8  0.1501  0.3223  0.2500  1
  Al  Al1  4  0.0000  0.1154  0.7500  1
  Pd  Pd2  8  0.1471  0.0000  0.0000  1
  Pd  Pd3  4  0.0000  0.4015  0.7500  1
]