# generated using pymatgen
data_Nd3YB4I5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.81089241
_cell_length_b   9.81089112
_cell_length_c   10.02409957
_cell_angle_alpha   74.98653936
_cell_angle_beta   74.98654187
_cell_angle_gamma   25.26911969
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd3YB4I5
_chemical_formula_sum   'Nd3 Y1 B4 I5'
_cell_volume   397.08974218
_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  0.49764657  0.49764657  0.24900573  1.0
  Nd  Nd1  1  0.13306068  0.13306068  0.93074413  1.0
  Nd  Nd2  1  0.86841811  0.86841811  0.06410838  1.0
  Y  Y3  1  0.50383072  0.50383072  0.75932134  1.0
  B  B4  1  0.31589086  0.68557588  0.99894838  1.0
  B  B5  1  0.68557588  0.31589086  0.99894838  1.0
  B  B6  1  0.00031884  0.00031884  0.09590000  1.0
  B  B7  1  0.00127433  0.00127433  0.90094777  1.0
  I  I8  1  0.67345624  0.67345624  0.67914844  1.0
  I  I9  1  0.32384493  0.32384493  0.31657635  1.0
  I  I10  1  0.33080306  0.33080306  0.84413121  1.0
  I  I11  1  0.67591387  0.67591387  0.14357288  1.0
  I  I12  1  0.00426190  0.00426190  0.50885101  1.0