data_[Cu4Ag4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Ag  1.9300  1.6000  1.0867
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.2996]
_cell_length_b [2.9858]
_cell_length_c [6.9836]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.3613]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CuAgF3]
_chemical_formula_sum '[Cu4 Ag4 F12]'
_cell_volume [296.8709]
_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
[
  Cu  Cu0  4  0.0870  0.5000  0.3386  1.0
  Ag  Ag1  4  0.1590  0.0000  0.8412  1.0
  F  F2  4  0.0065  0.0000  0.2332  1.0
  F  F3  4  0.1439  0.0000  0.4927  1.0
  F  F4  4  0.1778  0.5000  0.1159  1.0
]