# generated using pymatgen
data_La12Fe2I17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.89192792
_cell_length_b   11.98187218
_cell_length_c   12.15833466
_cell_angle_alpha   73.57605545
_cell_angle_beta   74.84127911
_cell_angle_gamma   67.23965555
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La12Fe2I17
_chemical_formula_sum   'La12 Fe2 I17'
_cell_volume   1255.62828028
_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
  La  La0  1  0.45044958  0.47825260  0.32982110  1.0
  La  La1  1  0.56225931  0.67256919  -0.00109121  1.0
  La  La2  1  0.29631133  0.00309387  0.08119374  1.0
  La  La3  1  0.84101754  0.28312123  0.84601763  1.0
  La  La4  1  0.42428609  0.23781368  0.73319453  1.0
  La  La5  1  0.70368867  0.99690613  0.91880626  1.0
  La  La6  1  0.54955042  0.52174740  0.67017890  1.0
  La  La7  1  0.43774069  0.32743081  0.00109121  1.0
  La  La8  1  0.57571391  0.76218632  0.26680547  1.0
  La  La9  1  0.83264206  0.18519168  0.57659398  1.0
  La  La10  1  0.16735794  0.81480832  0.42340602  1.0
  La  La11  1  0.15898246  0.71687877  0.15398237  1.0
  Fe  Fe12  1  0.36085133  0.73311686  0.21346619  1.0
  Fe  Fe13  1  0.63914867  0.26688314  0.78653381  1.0
  I  I14  1  0.05591623  0.10683661  0.31484078  1.0
  I  I15  1  0.45967087  0.94114755  0.81747124  1.0
  I  I16  1  0.42840563  0.82764824  0.52726431  1.0
  I  I17  1  0.57159437  0.17235176  0.47273569  1.0
  I  I18  1  0.86134897  0.68925535  0.04997991  1.0
  I  I19  1  0.20925781  0.41672161  0.25022384  1.0
  I  I20  1  0.69383257  0.36507142  0.10780849  1.0
  I  I21  1  0.54032913  0.05885245  0.18252876  1.0
  I  I22  1  0.74828112  0.47462327  0.40997015  1.0
  I  I23  1  0.88376153  0.78420017  0.36949656  1.0
  I  I24  1  0.94408377  0.89316339  0.68515922  1.0
  I  I25  1  0.13865103  0.31074465  0.95002009  1.0
  I  I26  1  0.30616743  0.63492858  0.89219151  1.0
  I  I27  1  0.00000000  -0.00000000  -0.00000000  1.0
  I  I28  1  0.11623847  0.21579983  0.63050344  1.0
  I  I29  1  0.79074219  0.58327839  0.74977616  1.0
  I  I30  1  0.25171888  0.52537673  0.59002985  1.0