data_[Cu12Si12H144O72F72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Si  1.9000  1.1000  0.5400
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [18.2753]
_cell_length_b [18.2753]
_cell_length_c [9.9475]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [CuSiH12(OF)6]
_chemical_formula_sum '[Cu12 Si12 H144 O72 F72]'
_cell_volume [2877.2140]
_cell_formula_units_Z [12]
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  9  0.0000  0.5000  0.0000  1
  Si  Si1  9  0.0000  0.5000  0.5000  1
  Cu  Cu2  3  0.0000  0.0000  0.0000  1
  Si  Si3  3  0.0000  0.0000  0.5000  1
  H  H4  18  0.0092  0.9172  0.7830  1
  H  H5  18  0.0174  0.2859  0.2383  1
  H  H6  18  0.0245  0.7422  0.4650  1
  H  H7  18  0.0246  0.7884  0.2189  1
  H  H8  18  0.0386  0.1800  0.4593  1
  H  H9  18  0.0538  0.9002  0.9051  1
  H  H10  18  0.0888  0.5167  0.2373  1
  H  H11  18  0.0895  0.5668  0.7946  1
  O  O12  18  0.0032  0.4118  0.8830  1
  O  O13  18  0.0069  0.9099  0.8811  1
  O  O14  18  0.0580  0.2374  0.4936  1
  O  O15  18  0.0806  0.8412  0.2218  1
  F  F16  18  0.0082  0.9275  0.5996  1
  F  F17  18  0.0326  0.4323  0.4424  1
  F  F18  18  0.0671  0.5757  0.3902  1
  F  F19  18  0.0792  0.5385  0.6200  1
]