# generated using pymatgen
data_TiF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61826770
_cell_length_b   5.54442299
_cell_length_c   5.56289735
_cell_angle_alpha   59.10670998
_cell_angle_beta   59.38056826
_cell_angle_gamma   59.19141450
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiF3
_chemical_formula_sum   'Ti2 F6'
_cell_volume   120.36940801
_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  0.00000000  0.00000000  -0.00000000  1.0
  Ti  Ti1  1  0.50000000  0.50000000  0.50000000  1.0
  F  F2  1  0.21983407  0.27657312  0.75255214  1.0
  F  F3  1  0.25476435  0.77548231  0.71544890  1.0
  F  F4  1  0.78016593  0.72342688  0.24744786  1.0
  F  F5  1  0.72217907  0.24502683  0.78447437  1.0
  F  F6  1  0.74523565  0.22451769  0.28455110  1.0
  F  F7  1  0.27782093  0.75497317  0.21552563  1.0