data_[Sr16Pd10Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [9.5017]
_cell_length_b [9.5017]
_cell_length_c [9.4428]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Sr8Pd5Au]
_chemical_formula_sum '[Sr16 Pd10 Au2]'
_cell_volume [852.5126]
_cell_formula_units_Z [2]
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  0.0642  0.3131  0.5623  1
  Sr  Sr1  8  0.0672  0.1801  0.1887  1
  Pd  Pd2  8  0.1272  0.2489  0.8754  1
  Pd  Pd3  2  0.0000  0.0000  0.5000  1
  Au  Au4  2  0.0000  0.5000  0.2500  1
]