# generated using pymatgen
data_Tb3(Th2Au5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.86340824
_cell_length_b   8.86340206
_cell_length_c   10.49253717
_cell_angle_alpha   90.00004725
_cell_angle_beta   89.99887918
_cell_angle_gamma   107.61225685
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb3(Th2Au5)2
_chemical_formula_sum   'Tb6 Th8 Au20'
_cell_volume   785.65525356
_cell_formula_units_Z   2
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  0.50319723  0.00320046  0.25001837  1.0
  Tb  Tb1  1  0.99680193  0.49680168  0.74998065  1.0
  Tb  Tb2  1  0.00000000  0.00000000  0.00000000  1.0
  Tb  Tb3  1  0.00319807  0.50319832  0.25001935  1.0
  Tb  Tb4  1  0.49680277  0.99679954  0.74998163  1.0
  Tb  Tb5  1  0.50000000  0.50000000  0.50000000  1.0
  Th  Th6  1  0.69501805  0.30498634  0.00000183  1.0
  Th  Th7  1  0.19504184  0.80495154  0.50000038  1.0
  Th  Th8  1  0.80782059  0.80781733  0.30523285  1.0
  Th  Th9  1  0.30787082  0.30787843  0.19484779  1.0
  Th  Th10  1  0.80495816  0.19504846  0.49999962  1.0
  Th  Th11  1  0.30498195  0.69501366  0.99999817  1.0
  Th  Th12  1  0.69212918  0.69212157  0.80515221  1.0
  Th  Th13  1  0.19217941  0.19218267  0.69476715  1.0
  Au  Au14  1  0.14733005  0.43917914  0.49813488  1.0
  Au  Au15  1  0.89851202  0.89850395  0.59843912  1.0
  Au  Au16  1  0.56082199  0.85267138  0.50186337  1.0
  Au  Au17  1  0.86001158  0.14977568  0.20775635  1.0
  Au  Au18  1  0.36001353  0.64974005  0.29229002  1.0
  Au  Au19  1  0.64974128  0.36002046  0.29228967  1.0
  Au  Au20  1  0.39851921  0.39853112  0.90152720  1.0
  Au  Au21  1  0.93917000  0.64728381  0.00185604  1.0
  Au  Au22  1  0.35025872  0.63997954  0.70771033  1.0
  Au  Au23  1  0.35271050  0.06083725  0.99814037  1.0
  Au  Au24  1  0.60148079  0.60146888  0.09847280  1.0
  Au  Au25  1  0.64728950  0.93916275  0.00185963  1.0
  Au  Au26  1  0.10148798  0.10149605  0.40156088  1.0
  Au  Au27  1  0.63998647  0.35025995  0.70770998  1.0
  Au  Au28  1  0.13998842  0.85022432  0.79224365  1.0
  Au  Au29  1  0.06083000  0.35271619  0.99814396  1.0
  Au  Au30  1  0.85266995  0.56082086  0.50186512  1.0
  Au  Au31  1  0.14976314  0.85998659  0.20774375  1.0
  Au  Au32  1  0.43917801  0.14732862  0.49813663  1.0
  Au  Au33  1  0.85023686  0.14001341  0.79225625  1.0