# generated using pymatgen
data_Pr3YB4I5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.85636865
_cell_length_b   9.85636787
_cell_length_c   10.06265189
_cell_angle_alpha   74.81979822
_cell_angle_beta   74.81979918
_cell_angle_gamma   25.22468024
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr3YB4I5
_chemical_formula_sum   'Pr3 Y1 B4 I5'
_cell_volume   401.33019736
_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  0.49715835  0.49715835  0.25099995  1.0
  Pr  Pr1  1  0.13395542  0.13395542  0.92964273  1.0
  Pr  Pr2  1  0.86744802  0.86744802  0.06401952  1.0
  Y  Y3  1  0.50413637  0.50413637  0.76001830  1.0
  B  B4  1  0.31607014  0.68530120  0.99903898  1.0
  B  B5  1  0.68530120  0.31607014  0.99903898  1.0
  B  B6  1  0.00014661  0.00014661  0.09525407  1.0
  B  B7  1  0.00138995  0.00138995  0.90150708  1.0
  I  I8  1  0.67324540  0.67324540  0.67629233  1.0
  I  I9  1  0.32270923  0.32270923  0.31772044  1.0
  I  I10  1  0.33143884  0.33143884  0.84080062  1.0
  I  I11  1  0.67582525  0.67582525  0.14455541  1.0
  I  I12  1  0.00547721  0.00547721  0.51130959  1.0