# generated using pymatgen
data_TiF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83854439
_cell_length_b   4.83854439
_cell_length_c   4.91055482
_cell_angle_alpha   47.59216863
_cell_angle_beta   47.59216863
_cell_angle_gamma   79.45706420
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiF3
_chemical_formula_sum   'Ti1 F3'
_cell_volume   54.32805493
_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
  F  F1  1  0.00000000  0.50000000  0.50000000  1.0
  F  F2  1  0.50000000  -0.00000000  0.50000000  1.0
  F  F3  1  0.50000000  0.50000000  0.50000000  1.0