data_[Sr6Cu8Au4]
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 [11.3746]
_cell_length_b [4.4323]
_cell_length_c [8.7905]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5071]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3(Cu2Au)2]
_chemical_formula_sum '[Sr6 Cu8 Au4]'
_cell_volume [429.0512]
_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  0.1662  0.5000  0.6671  1
  Sr  Sr1  2  0.0000  0.0000  0.0000  1
  Cu  Cu2  4  0.0516  0.0000  0.3943  1
  Cu  Cu3  4  0.2266  0.5000  0.0493  1
  Au  Au4  4  0.1128  0.5000  0.2756  1
]