data_[Sr6Bi6Au45]
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 [R-3m]
_cell_length_a [10.0496]
_cell_length_b [10.0496]
_cell_length_c [14.1400]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sr2Bi2Au15]
_chemical_formula_sum '[Sr6 Bi6 Au45]'
_cell_volume [1236.7317]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3538  1
  Bi  Bi1  6  0.0000  0.0000  0.1057  1
  Au  Au2  18  0.0000  0.3291  0.0000  1
  Au  Au3  18  0.0105  0.5052  0.1632  1
  Au  Au4  9  0.0000  0.5000  0.5000  1
]