# generated using pymatgen
data_Nd9ErC4I15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.72024085
_cell_length_b   10.58434084
_cell_length_c   11.68406167
_cell_angle_alpha   93.50237549
_cell_angle_beta   114.13037951
_cell_angle_gamma   109.74016639
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd9ErC4I15
_chemical_formula_sum   'Nd9 Er1 C4 I15'
_cell_volume   1004.43402645
_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  0.34418642  0.74425537  0.16321130  1.0
  Nd  Nd1  1  0.77634298  0.88318798  0.25702540  1.0
  Nd  Nd2  1  0.52876580  0.18529496  0.10407710  1.0
  Nd  Nd3  1  0.22417731  0.11558232  0.74370248  1.0
  Nd  Nd4  1  0.40411486  0.46066188  0.65724516  1.0
  Nd  Nd5  1  0.47334220  0.81434999  0.89765643  1.0
  Nd  Nd6  1  0.70411164  0.56789143  0.04429361  1.0
  Nd  Nd7  1  0.29627037  0.43203875  0.95579855  1.0
  Nd  Nd8  1  0.65562398  0.25615696  0.83335609  1.0
  Er  Er9  1  0.59238095  0.54387526  0.33522905  1.0
  C  C10  1  0.48325862  0.30042984  0.93876156  1.0
  C  C11  1  0.51839858  0.69854143  0.06226237  1.0
  C  C12  1  0.45357939  0.36364083  0.83412944  1.0
  C  C13  1  0.54655081  0.63516243  0.16721468  1.0
  I  I14  1  0.20587997  0.90479441  0.93722275  1.0
  I  I15  1  0.10275631  0.18681546  0.46688179  1.0
  I  I16  1  0.15080848  0.55516459  0.70224306  1.0
  I  I17  1  0.40578134  0.96855083  0.64628582  1.0
  I  I18  1  0.71692188  0.73791521  0.82072815  1.0
  I  I19  1  0.29523291  0.27169925  0.18760564  1.0
  I  I20  1  0.84003579  0.44813486  0.30411180  1.0
  I  I21  1  0.88405558  0.79955167  0.52770447  1.0
  I  I22  1  0.36568998  0.62632919  0.41196312  1.0
  I  I23  1  0.05570190  0.83436131  0.22169544  1.0
  I  I24  1  0.79599856  0.09781547  0.06369818  1.0
  I  I25  1  0.64187414  0.37475496  0.58103980  1.0
  I  I26  1  0.94614168  0.16401480  0.78092045  1.0
  I  I27  1  0.59290335  0.02947510  0.35328752  1.0
  I  I28  1  0.99911423  0.49955246  0.00064879  1.0