# generated using pymatgen
data_TbNd6RuI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.97295498
_cell_length_b   9.97295419
_cell_length_c   9.97295379
_cell_angle_alpha   107.01420969
_cell_angle_beta   107.01420588
_cell_angle_gamma   107.01421214
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbNd6RuI12
_chemical_formula_sum   'Tb1 Nd6 Ru1 I12'
_cell_volume   825.75025672
_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  0.90345997  0.69907362  0.97719524  1.0
  Nd  Nd2  1  0.97719524  0.90345997  0.69907362  1.0
  Nd  Nd3  1  0.69907362  0.97719524  0.90345997  1.0
  Nd  Nd4  1  0.09654003  0.30092638  0.02280476  1.0
  Nd  Nd5  1  0.02280476  0.09654003  0.30092638  1.0
  Nd  Nd6  1  0.30092638  0.02280476  0.09654003  1.0
  Ru  Ru7  1  0.00000000  0.00000000  0.00000000  1.0
  I  I8  1  0.60921233  0.83146160  0.53120908  1.0
  I  I9  1  0.53120908  0.60921233  0.83146160  1.0
  I  I10  1  0.83146160  0.53120908  0.60921233  1.0
  I  I11  1  0.39078767  0.16853840  0.46879092  1.0
  I  I12  1  0.46879092  0.39078767  0.16853840  1.0
  I  I13  1  0.16853840  0.46879092  0.39078767  1.0
  I  I14  1  0.67922795  0.07447784  0.22972399  1.0
  I  I15  1  0.22972399  0.67922795  0.07447784  1.0
  I  I16  1  0.07447784  0.22972399  0.67922795  1.0
  I  I17  1  0.32077205  0.92552216  0.77027601  1.0
  I  I18  1  0.77027601  0.32077205  0.92552216  1.0
  I  I19  1  0.92552216  0.77027601  0.32077205  1.0