data_[Sr8Pt4Au8]
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 [C2/m]
_cell_length_a [11.5311]
_cell_length_b [4.4342]
_cell_length_c [12.1719]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.8419]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2PtAu2]
_chemical_formula_sum '[Sr8 Pt4 Au8]'
_cell_volume [550.3133]
_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  0.0546  0.0000  0.3625  1.0
  Sr  Sr1  4  0.1965  0.0000  0.1133  1.0
  Pt  Pt2  4  0.2245  0.5000  0.3086  1.0
  Au  Au3  4  0.0233  0.5000  0.8879  1.0
  Au  Au4  4  0.1299  0.5000  0.5851  1.0
]