data_[Sr6Al8Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Al  1.6100  1.2500  0.6750
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.5692]
_cell_length_b [4.5972]
_cell_length_c [9.1235]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6012]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3(Al2Au)2]
_chemical_formula_sum '[Sr6 Al8 Au4]'
_cell_volume [459.8900]
_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  4  0.1819  0.5000  0.6475  1
  Sr  Sr1  2  0.0000  0.0000  0.0000  1
  Al  Al2  4  0.0200  0.0000  0.3588  1
  Al  Al3  4  0.2417  0.5000  0.0792  1
  Au  Au4  4  0.0976  0.5000  0.2680  1
]