# generated using pymatgen
data_Tl16O15F17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.49093926
_cell_length_b   9.49093926
_cell_length_c   9.51438593
_cell_angle_alpha   70.31152221
_cell_angle_beta   70.31152221
_cell_angle_gamma   108.73438793
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl16O15F17
_chemical_formula_sum   'Tl16 O15 F17'
_cell_volume   662.15099578
_cell_formula_units_Z   1
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
  Tl  Tl0  1  0.24453834  0.99902439  0.26632348  1.0
  Tl  Tl1  1  0.99902439  0.24453834  0.26632348  1.0
  Tl  Tl2  1  0.98072322  0.98072322  0.99344240  1.0
  Tl  Tl3  1  0.02737754  0.52165081  0.49486397  1.0
  Tl  Tl4  1  0.52165081  0.02737754  0.49486397  1.0
  Tl  Tl5  1  0.22776994  0.22776994  0.50002460  1.0
  Tl  Tl6  1  0.75390862  0.00733094  0.73557867  1.0
  Tl  Tl7  1  0.48916067  0.76801407  0.26834353  1.0
  Tl  Tl8  1  0.76801407  0.48916067  0.26834353  1.0
  Tl  Tl9  1  0.00733094  0.75390862  0.73557867  1.0
  Tl  Tl10  1  0.23694955  0.49780562  0.73968530  1.0
  Tl  Tl11  1  0.49780562  0.23694955  0.73968530  1.0
  Tl  Tl12  1  0.76308927  0.26277695  0.01885228  1.0
  Tl  Tl13  1  0.26277695  0.76308927  0.01885228  1.0
  Tl  Tl14  1  0.47512934  0.47512934  0.01941651  1.0
  Tl  Tl15  1  0.78499651  0.78499651  0.47774937  1.0
  O  O16  1  0.97803329  0.97803329  0.21640982  1.0
  O  O17  1  0.24012938  0.24012938  0.21794724  1.0
  O  O18  1  0.94551904  0.94551904  0.79117631  1.0
  O  O19  1  0.25425225  0.00929527  0.50424694  1.0
  O  O20  1  0.00929527  0.25425225  0.50424694  1.0
  O  O21  1  0.54480917  0.01871137  0.25946846  1.0
  O  O22  1  0.01871137  0.54480917  0.25946846  1.0
  O  O23  1  0.26306170  0.52328611  0.49627979  1.0
  O  O24  1  0.52328611  0.26306170  0.49627979  1.0
  O  O25  1  0.75045910  0.99604012  0.50517942  1.0
  O  O26  1  0.99604012  0.75045910  0.50517942  1.0
  O  O27  1  0.28831821  0.80632277  0.22538083  1.0
  O  O28  1  0.49182176  0.97793753  0.77999528  1.0
  O  O29  1  0.80632277  0.28831821  0.22538083  1.0
  O  O30  1  0.97793753  0.49182176  0.77999528  1.0
  F  F31  1  0.25542670  0.02979723  0.98121808  1.0
  F  F32  1  0.02979723  0.25542670  0.98121808  1.0
  F  F33  1  0.22578865  0.22578865  0.73739954  1.0
  F  F34  1  0.46106473  0.46106473  0.26819317  1.0
  F  F35  1  0.42051250  0.42051250  0.80741602  1.0
  F  F36  1  0.74523285  0.02882462  0.97958691  1.0
  F  F37  1  0.25517979  0.52960278  0.98220133  1.0
  F  F38  1  0.02882462  0.74523285  0.97958691  1.0
  F  F39  1  0.52960278  0.25517979  0.98220133  1.0
  F  F40  1  0.71818582  0.71818582  0.22002370  1.0
  F  F41  1  0.71515043  0.52171890  0.51891101  1.0
  F  F42  1  0.52171890  0.71515043  0.51891101  1.0
  F  F43  1  0.75672709  0.27585757  0.71142719  1.0
  F  F44  1  0.27585757  0.75672709  0.71142719  1.0
  F  F45  1  0.68746849  0.68746849  0.77027534  1.0
  F  F46  1  0.73083339  0.51438656  0.02272049  1.0
  F  F47  1  0.51438656  0.73083339  0.02272049  1.0