# generated using pymatgen
data_Nd3(AlI)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.98937234
_cell_length_b   9.98937201
_cell_length_c   12.26026457
_cell_angle_alpha   59.56109033
_cell_angle_beta   59.56109139
_cell_angle_gamma   24.67679593
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd3(AlI)2
_chemical_formula_sum   'Nd6 Al4 I4'
_cell_volume   436.72418991
_cell_formula_units_Z   2
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  0.83142042  0.83142042  0.39053147  1.0
  Nd  Nd1  1  0.16857958  0.16857958  0.60946853  1.0
  Nd  Nd2  1  0.75561340  0.75561340  0.79724427  1.0
  Nd  Nd3  1  0.24438660  0.24438660  0.20275573  1.0
  Nd  Nd4  1  0.53358279  0.53358279  0.31250224  1.0
  Nd  Nd5  1  0.46641721  0.46641721  0.68749776  1.0
  Al  Al6  1  0.92719705  0.92719705  0.52952630  1.0
  Al  Al7  1  0.07280295  0.07280295  0.47047370  1.0
  Al  Al8  1  0.33945266  0.33945266  0.58458445  1.0
  Al  Al9  1  0.66054734  0.66054734  0.41541555  1.0
  I  I10  1  0.42359568  0.42359568  0.17024339  1.0
  I  I11  1  0.57640432  0.57640432  0.82975661  1.0
  I  I12  1  0.85812832  0.85812832  0.93811017  1.0
  I  I13  1  0.14187168  0.14187168  0.06188983  1.0