# generated using pymatgen
data_TiF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52740604
_cell_length_b   5.52740443
_cell_length_c   5.52740400
_cell_angle_alpha   60.38280609
_cell_angle_beta   60.38281009
_cell_angle_gamma   60.38281004
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiF3
_chemical_formula_sum   'Ti2 F6'
_cell_volume   120.44610882
_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
  Ti  Ti0  1  0.50000000  0.50000000  0.50000000  1.0
  Ti  Ti1  1  0.00000000  -0.00000000  -0.00000000  1.0
  F  F2  1  0.25318890  0.75002553  0.24677686  1.0
  F  F3  1  0.75002553  0.24677686  0.25318890  1.0
  F  F4  1  0.75322314  0.74681110  0.24997447  1.0
  F  F5  1  0.24997447  0.75322314  0.74681110  1.0
  F  F6  1  0.74681110  0.24997447  0.75322314  1.0
  F  F7  1  0.24677686  0.25318890  0.75002553  1.0