data_[Cu1Au1F5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Au  2.5400  1.3500  1.0700
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.8027]
_cell_length_b [5.1701]
_cell_length_c [5.5337]
_cell_angle_alpha [91.1036]
_cell_angle_beta [98.2313]
_cell_angle_gamma [107.6979]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CuAuF5]
_chemical_formula_sum '[Cu1 Au1 F5]'
_cell_volume [102.3497]
_cell_formula_units_Z [1]
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
[
  Cu  Cu0  1  0.0000  0.5000  0.5000  1.0
  Au  Au1  1  0.0000  0.0000  0.0000  1.0
  F  F2  2  0.1201  0.8445  0.3157  1.0
  F  F3  2  0.1809  0.7324  0.8300  1.0
  F  F4  1  0.5000  0.5000  0.5000  1.0
]