data_[Sr8Bi16Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Bi  2.0200  1.6000  1.0350
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.7308]
_cell_length_b [19.3060]
_cell_length_c [11.0068]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [SrBi2Au]
_chemical_formula_sum '[Sr8 Bi16 Au8]'
_cell_volume [1005.2828]
_cell_formula_units_Z [8]
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  0.3191  0.7500  1.0
  Sr  Sr1  4  0.0000  0.5000  0.0000  1.0
  Bi  Bi2  8  0.0000  0.2985  0.0822  1.0
  Bi  Bi3  4  0.0000  0.0451  0.2500  1.0
  Bi  Bi4  4  0.0000  0.1172  0.7500  1.0
  Au  Au5  8  0.0000  0.1354  0.0403  1.0
]