# generated using pymatgen
data_TbNd6AlI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.97884030
_cell_length_b   9.97884051
_cell_length_c   9.97884146
_cell_angle_alpha   107.55267571
_cell_angle_beta   107.55267319
_cell_angle_gamma   107.55267685
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbNd6AlI12
_chemical_formula_sum   'Tb1 Nd6 Al1 I12'
_cell_volume   814.73613494
_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
  Tb  Tb0  1  0.50000000  0.50000000  0.50000000  1.0
  Nd  Nd1  1  0.89470341  0.96741704  0.68289310  1.0
  Nd  Nd2  1  0.96741704  0.68289310  0.89470341  1.0
  Nd  Nd3  1  0.68289310  0.89470341  0.96741704  1.0
  Nd  Nd4  1  0.10529659  0.03258296  0.31710690  1.0
  Nd  Nd5  1  0.03258296  0.31710690  0.10529659  1.0
  Nd  Nd6  1  0.31710690  0.10529659  0.03258296  1.0
  Al  Al7  1  0.00000000  0.00000000  0.00000000  1.0
  I  I8  1  0.52621749  0.83344706  0.60515279  1.0
  I  I9  1  0.83344706  0.60515279  0.52621749  1.0
  I  I10  1  0.60515279  0.52621749  0.83344706  1.0
  I  I11  1  0.47378251  0.16655294  0.39484721  1.0
  I  I12  1  0.16655294  0.39484721  0.47378251  1.0
  I  I13  1  0.39484721  0.47378251  0.16655294  1.0
  I  I14  1  0.68524910  0.23090353  0.07485858  1.0
  I  I15  1  0.23090353  0.07485858  0.68524910  1.0
  I  I16  1  0.07485858  0.68524910  0.23090353  1.0
  I  I17  1  0.31475090  0.76909647  0.92514142  1.0
  I  I18  1  0.76909647  0.92514142  0.31475090  1.0
  I  I19  1  0.92514142  0.31475090  0.76909647  1.0