# generated using pymatgen
data_NbI5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.49416100
_cell_length_b   8.05949045
_cell_length_c   10.80893970
_cell_angle_alpha   109.95907937
_cell_angle_beta   91.28564173
_cell_angle_gamma   115.90041221
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbI5
_chemical_formula_sum   'Nb2 I10'
_cell_volume   540.52121254
_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
  Nb  Nb0  1  0.88479300  0.99904800  0.22074100  1.0
  Nb  Nb1  1  0.11520700  0.00095200  0.77925900  1.0
  I  I2  1  0.73305700  0.22832100  0.15171500  1.0
  I  I3  1  0.72936000  0.78238400  0.04252800  1.0
  I  I4  1  0.05467900  0.76467200  0.24904700  1.0
  I  I5  1  0.94532100  0.23532800  0.75095300  1.0
  I  I6  1  0.27064000  0.21761600  0.95747200  1.0
  I  I7  1  0.26694300  0.77167900  0.84828500  1.0
  I  I8  1  0.11456200  0.24493500  0.32767100  1.0
  I  I9  1  0.50014000  0.75480000  0.42903300  1.0
  I  I10  1  0.88543800  0.75506500  0.67232900  1.0
  I  I11  1  0.49986000  0.24520000  0.57096700  1.0