data_[Y6Pb8F34]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Pb  2.3300  1.8000  1.1225
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [9.1918]
_cell_length_b [9.2279]
_cell_length_c [9.2792]
_cell_angle_alpha [72.7878]
_cell_angle_beta [72.9392]
_cell_angle_gamma [72.9841]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Y3Pb4F17]
_chemical_formula_sum '[Y6 Pb8 F34]'
_cell_volume [700.2507]
_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
[
  Y  Y0  1  0.1868  0.6074  0.4667  1
  Y  Y1  1  0.3910  0.5335  0.8325  1
  Y  Y2  1  0.4690  0.1594  0.6106  1
  Y  Y3  1  0.5226  0.8171  0.3979  1
  Y  Y4  1  0.6100  0.4690  0.1637  1
  Y  Y5  1  0.8421  0.3887  0.5320  1
  Pb  Pb6  1  0.0529  0.3176  0.8899  1
  Pb  Pb7  1  0.1132  0.9490  0.6781  1
  Pb  Pb8  1  0.2673  0.2580  0.2592  1
  Pb  Pb9  1  0.3270  0.8924  0.0428  1
  Pb  Pb10  1  0.7088  0.0944  0.9633  1
  Pb  Pb11  1  0.7455  0.7356  0.7323  1
  Pb  Pb12  1  0.9018  0.0332  0.3030  1
  Pb  Pb13  1  0.9631  0.6931  0.1057  1
  F  F14  1  0.0230  0.1726  0.4531  1
  F  F15  1  0.0495  0.4873  0.3579  1
  F  F16  1  0.0833  0.7847  0.2587  1
  F  F17  1  0.1384  0.1353  0.1294  1
  F  F18  1  0.1780  0.4502  0.0205  1
  F  F19  1  0.1891  0.6030  0.7119  1
  F  F20  1  0.2098  0.7427  0.9271  1
  F  F21  1  0.2540  0.0746  0.7941  1
  F  F22  1  0.2594  0.3450  0.5496  1
  F  F23  1  0.2696  0.8353  0.4031  1
  F  F24  1  0.3459  0.5496  0.2438  1
  F  F25  1  0.3573  0.0445  0.4892  1
  F  F26  1  0.3968  0.3055  0.7897  1
  F  F27  1  0.4396  0.7553  0.6618  1
  F  F28  1  0.4506  0.5692  0.4805  1
  F  F29  1  0.4518  0.0199  0.1775  1
  F  F30  1  0.4930  0.3552  0.0400  1
  F  F31  1  0.5151  0.6430  0.9503  1
  F  F32  1  0.5431  0.2635  0.3502  1
  F  F33  1  0.5486  0.9774  0.8254  1
  F  F34  1  0.5849  0.7112  0.1882  1
  F  F35  1  0.6438  0.9518  0.5150  1
  F  F36  1  0.6507  0.4563  0.7352  1
  F  F37  1  0.6958  0.2123  0.5918  1
  F  F38  1  0.7349  0.9100  0.2239  1
  F  F39  1  0.7402  0.6489  0.4598  1
  F  F40  1  0.7901  0.4174  0.3023  1
  F  F41  1  0.7927  0.2570  0.0838  1
  F  F42  1  0.8272  0.5442  0.9753  1
  F  F43  1  0.8671  0.8591  0.8570  1
  F  F44  1  0.9236  0.2066  0.7452  1
  F  F45  1  0.9621  0.5092  0.6435  1
  F  F46  1  0.9744  0.9886  0.0186  1
  F  F47  1  0.9768  0.8204  0.5469  1
]