# generated using pymatgen
data_BiI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.46475988
_cell_length_b   8.46476046
_cell_length_c   8.46475978
_cell_angle_alpha   53.90656508
_cell_angle_beta   53.90657139
_cell_angle_gamma   53.90656748
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiI3
_chemical_formula_sum   'Bi2 I6'
_cell_volume   367.81189633
_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
  Bi  Bi0  1  0.66688537  0.66688537  0.66688537  1.0
  Bi  Bi1  1  0.33311463  0.33311463  0.33311463  1.0
  I  I2  1  0.91696412  0.26048317  0.57146298  1.0
  I  I3  1  0.26048317  0.57146298  0.91696412  1.0
  I  I4  1  0.42853702  0.08303588  0.73951683  1.0
  I  I5  1  0.73951683  0.42853702  0.08303588  1.0
  I  I6  1  0.08303588  0.73951683  0.42853702  1.0
  I  I7  1  0.57146298  0.91696412  0.26048317  1.0