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 [P2_1/c]
_cell_length_a [7.1853]
_cell_length_b [5.7428]
_cell_length_c [7.1151]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.5266]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CuAgF3]
_chemical_formula_sum '[Cu4 Ag4 F12]'
_cell_volume [269.1868]
_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  0.0897  0.2469  0.1130  1.0
  Ag  Ag1  4  0.4051  0.7189  0.8963  1.0
  F  F2  4  0.0870  0.1011  0.3630  1.0
  F  F3  4  0.1802  0.6288  0.5393  1.0
  F  F4  4  0.3622  0.1476  0.7605  1.0
]