# generated using pymatgen
data_NdSm6MnI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.92198099
_cell_length_b   9.78873833
_cell_length_c   9.85303916
_cell_angle_alpha   106.83391400
_cell_angle_beta   107.05647978
_cell_angle_gamma   106.97980697
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdSm6MnI12
_chemical_formula_sum   'Nd1 Sm6 Mn1 I12'
_cell_volume   797.90461693
_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  0.90900243  0.71596788  0.97582721  1.0
  Sm  Sm1  1  0.97463126  0.90528118  0.70338368  1.0
  Sm  Sm2  1  0.69741159  0.97781073  0.90342527  1.0
  Sm  Sm3  1  0.09086170  0.28134259  0.02461519  1.0
  Sm  Sm4  1  0.02583734  0.09499693  0.29726997  1.0
  Sm  Sm5  1  0.30353728  0.02212239  0.09686904  1.0
  Sm  Sm6  1  0.49956508  0.50007800  0.49918967  1.0
  Mn  Mn7  1  0.99960281  0.99779253  0.00021988  1.0
  I  I8  1  0.77555006  0.31980294  0.92793260  1.0
  I  I9  1  0.92410937  0.77111057  0.31897926  1.0
  I  I10  1  0.31698927  0.92728141  0.76949731  1.0
  I  I11  1  0.22977072  0.68093060  0.07342970  1.0
  I  I12  1  0.07430806  0.23071959  0.68544505  1.0
  I  I13  1  0.68521673  0.07680836  0.23109645  1.0
  I  I14  1  0.53365143  0.61419744  0.84067733  1.0
  I  I15  1  0.83847238  0.53301612  0.60866180  1.0
  I  I16  1  0.61257594  0.84294357  0.53339621  1.0
  I  I17  1  0.46191469  0.38486313  0.15616444  1.0
  I  I18  1  0.15953920  0.46552687  0.38708162  1.0
  I  I19  1  0.38745366  0.15740618  0.46684030  1.0