# generated using pymatgen
data_Pr4B4I5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.91545536
_cell_length_b   9.91545519
_cell_length_c   10.30799479
_cell_angle_alpha   74.78169969
_cell_angle_beta   74.78170058
_cell_angle_gamma   25.21455558
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr4B4I5
_chemical_formula_sum   'Pr4 B4 I5'
_cell_volume   415.82451820
_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
  Pr  Pr0  1  0.50450658  0.50450658  0.75319772  1.0
  Pr  Pr1  1  0.49726364  0.49726364  0.24564702  1.0
  Pr  Pr2  1  0.13371841  0.13371841  0.93368404  1.0
  Pr  Pr3  1  0.86782558  0.86782558  0.06497324  1.0
  B  B4  1  0.31642709  0.68507744  0.99949562  1.0
  B  B5  1  0.68507744  0.31642709  0.99949562  1.0
  B  B6  1  0.00005975  0.00005975  0.09335813  1.0
  B  B7  1  0.00143100  0.00143100  0.90559570  1.0
  I  I8  1  0.67820082  0.67820082  0.68683305  1.0
  I  I9  1  0.32370255  0.32370255  0.31222070  1.0
  I  I10  1  0.32715392  0.32715392  0.85374498  1.0
  I  I11  1  0.67460429  0.67460429  0.14440479  1.0
  I  I12  1  0.00432993  0.00432993  0.49755136  1.0