# generated using pymatgen
data_Nd12Be2I17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.85098119
_cell_length_b   11.90721753
_cell_length_c   11.74323535
_cell_angle_alpha   93.71597388
_cell_angle_beta   105.69650468
_cell_angle_gamma   115.49112314
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd12Be2I17
_chemical_formula_sum   'Nd12 Be2 I17'
_cell_volume   1170.67108002
_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  0.05869863  0.51399651  0.32849174  1.0
  Nd  Nd1  1  0.99792876  0.81448431  0.58012897  1.0
  Nd  Nd2  1  0.62568825  0.23549542  0.27360362  1.0
  Nd  Nd3  1  0.00207124  0.18551569  0.41987103  1.0
  Nd  Nd4  1  0.23417156  0.67224138  0.00250944  1.0
  Nd  Nd5  1  0.29598993  0.00214744  0.91485674  1.0
  Nd  Nd6  1  0.37431175  0.76450458  0.72639638  1.0
  Nd  Nd7  1  0.94130137  0.48600349  0.67150826  1.0
  Nd  Nd8  1  0.70401007  0.99785256  0.08514326  1.0
  Nd  Nd9  1  0.14854112  0.28661916  0.14497715  1.0
  Nd  Nd10  1  0.76582844  0.32775862  0.99749056  1.0
  Nd  Nd11  1  0.85145888  0.71338084  0.85502285  1.0
  Be  Be12  1  0.10974368  0.73774420  0.78886538  1.0
  Be  Be13  1  0.89025632  0.26225580  0.21113462  1.0
  I  I14  1  0.77483649  0.52924157  0.41151845  1.0
  I  I15  1  0.62824003  0.41884574  0.74333046  1.0
  I  I16  1  0.83654278  0.89129606  0.31776531  1.0
  I  I17  1  0.31952609  0.21002837  0.37105119  1.0
  I  I18  1  0.16345722  0.10870394  0.68223469  1.0
  I  I19  1  0.59296972  0.05974321  0.82069014  1.0
  I  I20  1  0.74107160  0.17558876  0.53484348  1.0
  I  I21  1  0.54889515  0.68692977  0.95821446  1.0
  I  I22  1  0.37175997  0.58115426  0.25666954  1.0
  I  I23  1  0.22516351  0.47075843  0.58848155  1.0
  I  I24  1  0.05565136  0.36690942  0.89120316  1.0
  I  I25  1  0.45110485  0.31307023  0.04178554  1.0
  I  I26  1  0.00000000  0.00000000  0.00000000  1.0
  I  I27  1  0.25892840  0.82441124  0.46515652  1.0
  I  I28  1  0.40703028  0.94025679  0.17930986  1.0
  I  I29  1  0.68047391  0.78997163  0.62894881  1.0
  I  I30  1  0.94434864  0.63309058  0.10879684  1.0