data_[Sr8Pd4Au8]
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 [C2/m]
_cell_length_a [11.4921]
_cell_length_b [4.4583]
_cell_length_c [12.0843]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.8531]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2PdAu2]
_chemical_formula_sum '[Sr8 Pd4 Au8]'
_cell_volume [547.4160]
_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  4  0.0482  0.5000  0.3602  1.0
  Sr  Sr1  4  0.1956  0.5000  0.1139  1.0
  Pd  Pd2  4  0.2212  0.0000  0.3123  1.0
  Au  Au3  4  0.0242  0.0000  0.8898  1.0
  Au  Au4  4  0.1338  0.0000  0.5833  1.0
]