# generated using pymatgen
data_BiI
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39489467
_cell_length_b   7.92584421
_cell_length_c   10.88122913
_cell_angle_alpha   105.28071555
_cell_angle_beta   90.00000000
_cell_angle_gamma   106.09620140
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiI
_chemical_formula_sum   'Bi4 I4'
_cell_volume   350.20151877
_cell_formula_units_Z   4
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  0.17938765  0.35877729  0.99037191  1.0
  Bi  Bi1  1  0.80457099  0.60914299  0.72150048  1.0
  Bi  Bi2  1  0.19542901  0.39085701  0.27849952  1.0
  Bi  Bi3  1  0.82061235  0.64122271  0.00962809  1.0
  I  I4  1  0.45541566  0.91083032  0.78205522  1.0
  I  I5  1  0.54458434  0.08916968  0.21794478  1.0
  I  I6  1  0.84555719  0.69111538  0.37272991  1.0
  I  I7  1  0.15444281  0.30888462  0.62727009  1.0