data_[Li2Cu1Au1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [P1]
_cell_length_a [5.1641]
_cell_length_b [5.4992]
_cell_length_c [5.7600]
_cell_angle_alpha [114.9641]
_cell_angle_beta [97.8006]
_cell_angle_gamma [111.1836]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li2CuAuF6]
_chemical_formula_sum '[Li2 Cu1 Au1 F6]'
_cell_volume [129.9839]
_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
[
  Li  Li0  1  0.2232  0.4948  0.6695  1.0
  Li  Li1  1  0.6773  0.4185  0.1453  1.0
  Cu  Cu2  1  0.9910  0.9919  0.0557  1.0
  Au  Au3  1  0.5177  0.0148  0.5227  1.0
  F  F4  1  0.0038  0.3742  0.2866  1.0
  F  F5  1  0.3432  0.2483  0.7869  1.0
  F  F6  1  0.4155  0.1952  0.2741  1.0
  F  F7  1  0.6155  0.8600  0.7913  1.0
  F  F8  1  0.7419  0.8188  0.2996  1.0
  F  F9  1  0.9934  0.6179  0.8658  1.0
]