# generated using pymatgen
data_NdSm6CI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.68598798
_cell_length_b   9.68598778
_cell_length_c   9.68598584
_cell_angle_alpha   107.64951841
_cell_angle_beta   107.64952671
_cell_angle_gamma   107.64951308
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdSm6CI12
_chemical_formula_sum   'Nd1 Sm6 C1 I12'
_cell_volume   742.97674131
_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  0.46936175  0.46936175  0.46936175  1.0
  Sm  Sm1  1  0.10487707  0.03943488  0.29286948  1.0
  Sm  Sm2  1  0.29286948  0.10487707  0.03943488  1.0
  Sm  Sm3  1  0.03943488  0.29286948  0.10487707  1.0
  Sm  Sm4  1  0.71140464  0.90924665  0.97763303  1.0
  Sm  Sm5  1  0.97763303  0.71140464  0.90924665  1.0
  Sm  Sm6  1  0.90924665  0.97763303  0.71140464  1.0
  C  C7  1  0.99238255  0.99238255  0.99238255  1.0
  I  I8  1  0.77575051  0.92223521  0.31691837  1.0
  I  I9  1  0.38748280  0.47275665  0.13574728  1.0
  I  I10  1  0.47275665  0.13574728  0.38748280  1.0
  I  I11  1  0.13574728  0.38748280  0.47275665  1.0
  I  I12  1  0.31691837  0.77575051  0.92223521  1.0
  I  I13  1  0.92223521  0.31691837  0.77575051  1.0
  I  I14  1  0.61534751  0.53683057  0.84470648  1.0
  I  I15  1  0.84470648  0.61534751  0.53683057  1.0
  I  I16  1  0.53683057  0.84470648  0.61534751  1.0
  I  I17  1  0.68904253  0.23349991  0.07802014  1.0
  I  I18  1  0.07802014  0.68904253  0.23349991  1.0
  I  I19  1  0.23349991  0.07802014  0.68904253  1.0