# generated using pymatgen
data_HfTiI6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.48850698
_cell_length_b   7.48850659
_cell_length_c   6.50395149
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000577
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTiI6
_chemical_formula_sum   'Hf1 Ti1 I6'
_cell_volume   315.86270824
_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
  Hf  Hf0  1  0.00000000  0.00000000  0.50000000  1.0
  Ti  Ti1  1  0.00000000  0.00000000  0.00000000  1.0
  I  I2  1  0.31191254  1.00000000  0.24710234  1.0
  I  I3  1  0.68808746  0.00000000  0.75289766  1.0
  I  I4  1  1.00000000  0.31191254  0.24710234  1.0
  I  I5  1  0.31191254  0.31191254  0.75289766  1.0
  I  I6  1  0.00000000  0.68808746  0.75289766  1.0
  I  I7  1  0.68808746  0.68808746  0.24710234  1.0