data_[Sr6Al12Au10]
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 [Pmmn]
_cell_length_a [4.3830]
_cell_length_b [12.9842]
_cell_length_c [10.9883]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Sr3Al6Au5]
_chemical_formula_sum '[Sr6 Al12 Au10]'
_cell_volume [625.3367]
_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  0.0000  0.3447  0.7540  1
  Sr  Sr1  2  0.0000  0.0000  0.7436  1
  Al  Al2  4  0.0000  0.1746  0.9891  1
  Al  Al3  4  0.0000  0.3073  0.4068  1
  Al  Al4  2  0.0000  0.5000  0.0190  1
  Al  Al5  2  0.0000  0.5000  0.5094  1
  Au  Au6  4  0.0000  0.1159  0.4789  1
  Au  Au7  4  0.0000  0.3273  0.1533  1
  Au  Au8  2  0.0000  0.0000  0.1003  1
]