data_[Ba6Al4Cu4F32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Al  1.6100  1.2500  0.6750
  Cu  1.9000  1.3500  0.8200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [7.2400]
_cell_length_b [5.2472]
_cell_length_c [15.7139]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.3368]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [Ba3Al2Cu2F16]
_chemical_formula_sum '[Ba6 Al4 Cu4 F32]'
_cell_volume [593.3204]
_cell_formula_units_Z [2]
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
[
  Ba  Ba0  2  0.1685  0.2445  0.6141  1
  Ba  Ba1  2  0.2487  0.3061  0.0287  1
  Ba  Ba2  2  0.3138  0.2600  0.3186  1
  Al  Al3  2  0.0820  0.8195  0.1592  1
  Al  Al4  2  0.3255  0.7669  0.4754  1
  Cu  Cu5  2  0.2115  0.7869  0.8036  1
  Cu  Cu6  2  0.4442  0.3112  0.8297  1
  F  F7  2  0.0328  0.6272  0.8716  1
  F  F8  2  0.0465  0.8681  0.7047  1
  F  F9  2  0.0522  0.8743  0.2689  1
  F  F10  2  0.1110  0.7954  0.0440  1
  F  F11  2  0.1363  0.1598  0.8643  1
  F  F12  2  0.1388  0.9845  0.4477  1
  F  F13  2  0.1775  0.4976  0.4560  1
  F  F14  2  0.2154  0.5370  0.1803  1
  F  F15  2  0.2922  0.0122  0.1720  1
  F  F16  2  0.2997  0.7737  0.5866  1
  F  F17  2  0.3729  0.4998  0.7298  1
  F  F18  2  0.3911  0.6294  0.8901  1
  F  F19  2  0.3981  0.7552  0.3703  1
  F  F20  2  0.4034  0.0055  0.7630  1
  F  F21  2  0.4695  0.0623  0.4930  1
  F  F22  2  0.4982  0.6505  0.0648  1
]