# generated using pymatgen
data_TlOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.36754367
_cell_length_b   9.36754367
_cell_length_c   9.80786761
_cell_angle_alpha   70.60259889
_cell_angle_beta   70.60259889
_cell_angle_gamma   106.94500010
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlOF
_chemical_formula_sum   'Tl16 O16 F16'
_cell_volume   683.20211600
_cell_formula_units_Z   16
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  0.96361000  0.70577200  0.78825000  1.0
  Tl  Tl1  1  0.24783600  0.74181800  0.97896300  1.0
  Tl  Tl2  1  0.73221200  0.73221200  0.52692100  1.0
  Tl  Tl3  1  0.70577200  0.96361000  0.78825000  1.0
  Tl  Tl4  1  0.96645500  0.96645500  0.00366700  1.0
  Tl  Tl5  1  0.25849300  0.52080200  0.73089200  1.0
  Tl  Tl6  1  0.52080200  0.25849300  0.73089200  1.0
  Tl  Tl7  1  0.02928600  0.26996200  0.22936700  1.0
  Tl  Tl8  1  0.28052500  0.28052500  0.48300800  1.0
  Tl  Tl9  1  0.99014900  0.47638900  0.52937900  1.0
  Tl  Tl10  1  0.47638900  0.99014900  0.52937900  1.0
  Tl  Tl11  1  0.49541000  0.76100400  0.26568400  1.0
  Tl  Tl12  1  0.76100400  0.49541000  0.26568400  1.0
  Tl  Tl13  1  0.26996200  0.02928600  0.22936700  1.0
  Tl  Tl14  1  0.50825800  0.50825800  0.96187600  1.0
  Tl  Tl15  1  0.74181800  0.24783600  0.97896300  1.0
  O  O16  1  0.47547400  0.72161500  0.00652200  1.0
  O  O17  1  0.76173600  0.76173600  0.73222400  1.0
  O  O18  1  0.22533000  0.48179000  0.99043100  1.0
  O  O19  1  0.48179000  0.22533000  0.99043100  1.0
  O  O20  1  0.71789000  0.97467500  0.03335300  1.0
  O  O21  1  0.22632000  0.76562400  0.74021500  1.0
  O  O22  1  0.76562400  0.22632000  0.74021500  1.0
  O  O23  1  0.48987400  0.48987400  0.73698000  1.0
  O  O24  1  0.99716700  0.47287100  0.76525300  1.0
  O  O25  1  0.47287100  0.99716700  0.76525300  1.0
  O  O26  1  0.50034200  0.76827900  0.49649000  1.0
  O  O27  1  0.76827900  0.50034200  0.49649000  1.0
  O  O28  1  0.25384400  0.51092400  0.47691300  1.0
  O  O29  1  0.51092400  0.25384400  0.47691300  1.0
  O  O30  1  0.72161500  0.47547400  0.00652200  1.0
  O  O31  1  0.97467500  0.71789000  0.03335300  1.0
  F  F32  1  0.99091200  0.20048800  0.02234600  1.0
  F  F33  1  0.20048800  0.99091200  0.02234600  1.0
  F  F34  1  0.23719000  0.23719000  0.74479400  1.0
  F  F35  1  0.03979900  0.50815700  0.26335600  1.0
  F  F36  1  0.77336600  0.77336600  0.27518200  1.0
  F  F37  1  0.99087000  0.99087000  0.76003900  1.0
  F  F38  1  0.02797500  0.75256900  0.48869600  1.0
  F  F39  1  0.75256900  0.02797500  0.48869600  1.0
  F  F40  1  0.02674500  0.22993200  0.47693100  1.0
  F  F41  1  0.22993200  0.02674500  0.47693100  1.0
  F  F42  1  0.54026200  0.54026200  0.24827100  1.0
  F  F43  1  0.28057900  0.79827300  0.22118200  1.0
  F  F44  1  0.79827300  0.28057900  0.22118200  1.0
  F  F45  1  0.50815700  0.03979900  0.26335600  1.0
  F  F46  1  0.29829600  0.29829600  0.22720100  1.0
  F  F47  1  0.01285800  0.01285800  0.29139000  1.0