data_[Sr9Re6Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Re  1.9000  1.3500  0.7125
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.2076]
_cell_length_b [5.2076]
_cell_length_c [25.3105]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Sr3(ReAu)2]
_chemical_formula_sum '[Sr9 Re6 Au6]'
_cell_volume [594.4389]
_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  3  0.0000  0.0000  0.1300  1
  Sr  Sr1  3  0.0000  0.0000  0.3747  1
  Sr  Sr2  3  0.0000  0.0000  0.6195  1
  Re  Re3  3  0.0000  0.0000  0.2498  1
  Re  Re4  3  0.0000  0.0000  0.7641  1
  Au  Au5  3  0.0000  0.0000  0.4977  1
  Au  Au6  3  0.0000  0.0000  0.9892  1
]