# generated using pymatgen
data_TiTl2F6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91908064
_cell_length_b   5.91907988
_cell_length_c   4.76418862
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000427
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTl2F6
_chemical_formula_sum   'Ti1 Tl2 F6'
_cell_volume   144.55330242
_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
  Ti  Ti0  1  0.00000000  -0.00000000  -0.00000000  1.0
  Tl  Tl1  1  0.66666700  0.33333300  0.31259257  1.0
  Tl  Tl2  1  0.33333300  0.66666700  0.68740743  1.0
  F  F3  1  0.84778871  0.15221129  0.77892189  1.0
  F  F4  1  0.84778871  0.69557842  0.77892189  1.0
  F  F5  1  0.30442158  0.15221129  0.77892189  1.0
  F  F6  1  0.15221129  0.84778871  0.22107811  1.0
  F  F7  1  0.15221129  0.30442158  0.22107811  1.0
  F  F8  1  0.69557842  0.84778871  0.22107811  1.0