# generated using pymatgen
data_TlPF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31195570
_cell_length_b   5.66087366
_cell_length_c   5.31195691
_cell_angle_alpha   62.01881793
_cell_angle_beta   60.00000488
_cell_angle_gamma   62.01881646
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlPF6
_chemical_formula_sum   'Tl1 P1 F6'
_cell_volume   116.27238650
_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  0.50000000  0.50000000  0.50000000  1.0
  P  P1  1  -0.00000000  0.00000000  0.00000000  1.0
  F  F2  1  0.07849185  0.19627063  0.07849185  1.0
  F  F3  1  0.07849185  0.19627063  0.64674567  1.0
  F  F4  1  0.64674567  0.19627063  0.07849185  1.0
  F  F5  1  0.35325433  0.80372937  0.92150815  1.0
  F  F6  1  0.92150815  0.80372937  0.35325433  1.0
  F  F7  1  0.92150815  0.80372937  0.92150815  1.0