data_[Cu4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [5.5047]
_cell_length_b [10.8744]
_cell_length_c [5.1993]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.7963]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CuF4]
_chemical_formula_sum '[Cu4 F16]'
_cell_volume [267.3435]
_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  0.0000  0.0710  0.2500  1.0
  F  F1  8  0.2152  0.0509  0.7043  1.0
  F  F2  8  0.2227  0.1853  0.2362  1.0
]