data_[Sr8Cu8Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Cu  1.9000  1.3500  0.8200
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3227]
_cell_length_b [4.4780]
_cell_length_c [11.6051]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.6530]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2Cu2Au]
_chemical_formula_sum '[Sr8 Cu8 Au4]'
_cell_volume [525.8922]
_cell_formula_units_Z [4]
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  0.0919  0.0000  0.8905  1
  Sr  Sr1  4  0.1955  0.5000  0.6401  1
  Cu  Cu2  4  0.0428  0.0000  0.4207  1
  Cu  Cu3  4  0.1055  0.5000  0.1033  1
  Au  Au4  4  0.0783  0.5000  0.3200  1
]