data_[Sr20Pt8Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [16.0759]
_cell_length_b [8.2200]
_cell_length_c [8.2292]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Sr5(PtAu)2]
_chemical_formula_sum '[Sr20 Pt8 Au8]'
_cell_volume [1087.4345]
_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  16  0.1315  0.1699  0.6663  1
  Sr  Sr1  4  0.0000  0.0000  0.0000  1
  Pt  Pt2  8  0.0000  0.1227  0.3769  1
  Au  Au3  8  0.2030  0.0000  0.0000  1
]