data_[Sr20Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [18.3072]
_cell_length_b [7.4109]
_cell_length_c [8.2765]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.8495]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sr5Au2]
_chemical_formula_sum '[Sr20 Au8]'
_cell_volume [1112.3790]
_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  0.0935  0.0957  0.4165  1.0
  Sr  Sr1  8  0.2155  0.4165  0.8133  1.0
  Sr  Sr2  4  0.0000  0.4257  0.7500  1.0
  Au  Au3  8  0.1120  0.2966  0.0835  1.0
]