# generated using pymatgen
data_Bi4I
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.45407227
_cell_length_b   13.43705676
_cell_length_c   13.40802636
_cell_angle_alpha   103.17626241
_cell_angle_beta   89.99999978
_cell_angle_gamma   99.54012691
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi4I
_chemical_formula_sum   'Bi16 I4'
_cell_volume   769.93640039
_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  0.11298488  0.22596877  0.11645114  1.0
  Bi  Bi1  1  0.88701512  0.77403123  0.88354886  1.0
  Bi  Bi2  1  0.34164037  0.68328075  0.13042067  1.0
  Bi  Bi3  1  0.43722141  0.87444281  0.63289499  1.0
  Bi  Bi4  1  0.08109789  0.16219378  0.88248887  1.0
  Bi  Bi5  1  0.98645994  0.97292088  0.38191148  1.0
  Bi  Bi6  1  0.91890211  0.83780622  0.11751113  1.0
  Bi  Bi7  1  0.78916485  0.57832869  0.37115293  1.0
  Bi  Bi8  1  0.46373775  0.92747350  0.86856623  1.0
  Bi  Bi9  1  0.56277859  0.12555719  0.36710501  1.0
  Bi  Bi10  1  0.01354006  0.02707912  0.61808852  1.0
  Bi  Bi11  1  0.53626225  0.07252650  0.13143377  1.0
  Bi  Bi12  1  0.65835963  0.31671925  0.86957933  1.0
  Bi  Bi13  1  0.63174974  0.26349949  0.63727877  1.0
  Bi  Bi14  1  0.36825026  0.73650051  0.36272123  1.0
  Bi  Bi15  1  0.21083515  0.42167131  0.62884707  1.0
  I  I16  1  0.26795762  0.53591425  0.86110396  1.0
  I  I17  1  0.73204238  0.46408575  0.13889604  1.0
  I  I18  1  0.81954024  0.63908047  0.60814959  1.0
  I  I19  1  0.18045976  0.36091953  0.39185041  1.0