# generated using pymatgen
data_Nd12Al2I17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.97423953
_cell_length_b   11.88479095
_cell_length_c   11.77831279
_cell_angle_alpha   93.63496705
_cell_angle_beta   104.76676592
_cell_angle_gamma   115.30383322
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd12Al2I17
_chemical_formula_sum   'Nd12 Al2 I17'
_cell_volume   1196.61498211
_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  0.06746191  0.52904649  0.33259448  1.0
  Nd  Nd1  1  0.99060537  0.81384200  0.57287060  1.0
  Nd  Nd2  1  0.62601025  0.23935295  0.28280404  1.0
  Nd  Nd3  1  0.00939463  0.18615800  0.42712940  1.0
  Nd  Nd4  1  0.22463025  0.66041811  0.00708653  1.0
  Nd  Nd5  1  0.27883819  0.00034364  0.90725997  1.0
  Nd  Nd6  1  0.37398975  0.76064705  0.71719596  1.0
  Nd  Nd7  1  0.93253809  0.47095351  0.66740552  1.0
  Nd  Nd8  1  0.72116181  0.99965636  0.09274003  1.0
  Nd  Nd9  1  0.16215491  0.29209236  0.14501993  1.0
  Nd  Nd10  1  0.77536975  0.33958189  0.99291347  1.0
  Nd  Nd11  1  0.83784509  0.70790764  0.85498007  1.0
  Al  Al12  1  0.10763480  0.73553922  0.78833895  1.0
  Al  Al13  1  0.89236520  0.26446078  0.21166105  1.0
  I  I14  1  0.77704333  0.52933628  0.41540412  1.0
  I  I15  1  0.62449831  0.41425815  0.73986500  1.0
  I  I16  1  0.84015946  0.89087386  0.31848166  1.0
  I  I17  1  0.32049387  0.20914112  0.37035817  1.0
  I  I18  1  0.15984054  0.10912614  0.68151834  1.0
  I  I19  1  0.58933979  0.05733843  0.83187965  1.0
  I  I20  1  0.73589901  0.16448496  0.53389312  1.0
  I  I21  1  0.54114954  0.68884170  0.95626321  1.0
  I  I22  1  0.37550169  0.58574185  0.26013500  1.0
  I  I23  1  0.22295667  0.47066372  0.58459588  1.0
  I  I24  1  0.05604324  0.36088132  0.88914058  1.0
  I  I25  1  0.45885046  0.31115830  0.04373679  1.0
  I  I26  1  0.00000000  0.00000000  0.00000000  1.0
  I  I27  1  0.26410099  0.83551504  0.46610688  1.0
  I  I28  1  0.41066021  0.94266157  0.16812035  1.0
  I  I29  1  0.67950613  0.79085888  0.62964183  1.0
  I  I30  1  0.94395676  0.63911868  0.11085942  1.0