# generated using pymatgen
data_Nd8Sm2B2I15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.84224481
_cell_length_b   10.66502329
_cell_length_c   11.54427115
_cell_angle_alpha   91.66635136
_cell_angle_beta   114.38975718
_cell_angle_gamma   110.59773030
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd8Sm2B2I15
_chemical_formula_sum   'Nd8 Sm2 B2 I15'
_cell_volume   1011.24770835
_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
  Nd  Nd0  1  0.79143708  0.39942954  0.27239620  1.0
  Nd  Nd1  1  0.20856292  0.60057046  0.72760380  1.0
  Nd  Nd2  1  0.66639369  0.74997800  0.82250912  1.0
  Nd  Nd3  1  0.33360631  0.25002200  0.17749088  1.0
  Nd  Nd4  1  0.52376844  0.71267284  0.08974754  1.0
  Nd  Nd5  1  0.47623156  0.28732716  0.91025246  1.0
  Nd  Nd6  1  0.58303083  0.03951729  0.31481942  1.0
  Nd  Nd7  1  0.41696917  0.96048271  0.68518058  1.0
  Sm  Sm8  1  0.71066235  0.07040705  0.04585157  1.0
  Sm  Sm9  1  0.28933765  0.92959295  0.95414843  1.0
  B  B10  1  0.46674263  0.81988266  0.87638100  1.0
  B  B11  1  0.53325737  0.18011734  0.12361900  1.0
  I  I12  1  0.00000000  0.00000000  0.00000000  1.0
  I  I13  1  0.63866639  0.88311295  0.57963880  1.0
  I  I14  1  0.36133361  0.11688705  0.42036120  1.0
  I  I15  1  0.88538377  0.29913363  0.53482186  1.0
  I  I16  1  0.11461623  0.70086637  0.46517814  1.0
  I  I17  1  0.27725100  0.75906164  0.17509807  1.0
  I  I18  1  0.72274900  0.24093836  0.82490193  1.0
  I  I19  1  0.05517181  0.33843709  0.22538300  1.0
  I  I20  1  0.15231741  0.05308214  0.70150626  1.0
  I  I21  1  0.84768259  0.94691786  0.29849374  1.0
  I  I22  1  0.22617378  0.40876074  0.94156221  1.0
  I  I23  1  0.77382622  0.59123926  0.05843779  1.0
  I  I24  1  0.40881579  0.45695032  0.65727821  1.0
  I  I25  1  0.59118421  0.54304968  0.34272179  1.0
  I  I26  1  0.94482819  0.66156291  0.77461700  1.0