# generated using pymatgen
data_Nd2Sm2B4I5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.82180638
_cell_length_b   9.82180561
_cell_length_c   10.04191227
_cell_angle_alpha   75.43514479
_cell_angle_beta   75.43514716
_cell_angle_gamma   25.26848393
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2Sm2B4I5
_chemical_formula_sum   'Nd2 Sm2 B4 I5'
_cell_volume   399.54107985
_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  0.13280975  0.13280975  0.93294220  1.0
  Nd  Nd1  1  0.86886141  0.86886141  0.06582410  1.0
  Sm  Sm2  1  0.50281877  0.50281877  0.75462291  1.0
  Sm  Sm3  1  0.49895146  0.49895146  0.24425940  1.0
  B  B4  1  0.31609799  0.68557216  0.99948495  1.0
  B  B5  1  0.68557216  0.31609799  0.99948495  1.0
  B  B6  1  0.00079769  0.00079769  0.09647661  1.0
  B  B7  1  0.00083423  0.00083423  0.90249938  1.0
  I  I8  1  0.67423664  0.67423664  0.68227871  1.0
  I  I9  1  0.32722032  0.32722032  0.31689367  1.0
  I  I10  1  0.32749777  0.32749777  0.85004254  1.0
  I  I11  1  0.67428454  0.67428454  0.14797905  1.0
  I  I12  1  0.00431826  0.00431826  0.49741053  1.0