# generated using pymatgen
data_Tb2ThAlAu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.52726933
_cell_length_b   8.52726958
_cell_length_c   13.52393104
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   128.72745809
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb2ThAlAu5
_chemical_formula_sum   'Tb8 Th4 Al4 Au20'
_cell_volume   767.16764507
_cell_formula_units_Z   4
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  0.63215817  0.36784183  0.46347434  1.0
  Tb  Tb1  1  0.36784183  0.63215817  0.53652566  1.0
  Tb  Tb2  1  0.63215817  0.36784183  0.03652566  1.0
  Tb  Tb3  1  0.36784183  0.63215817  0.96347434  1.0
  Tb  Tb4  1  0.88417959  0.11582041  0.95205894  1.0
  Tb  Tb5  1  0.11582041  0.88417959  0.04794106  1.0
  Tb  Tb6  1  0.88417959  0.11582041  0.54794106  1.0
  Tb  Tb7  1  0.11582041  0.88417959  0.45205894  1.0
  Th  Th8  1  0.93318086  0.06681914  0.25000000  1.0
  Th  Th9  1  0.06681914  0.93318086  0.75000000  1.0
  Th  Th10  1  0.31558358  0.68441642  0.25000000  1.0
  Th  Th11  1  0.68441642  0.31558358  0.75000000  1.0
  Al  Al12  1  0.72132087  0.27867913  0.25000000  1.0
  Al  Al13  1  0.27867913  0.72132087  0.75000000  1.0
  Al  Al14  1  0.53231310  0.46768690  0.25000000  1.0
  Al  Al15  1  0.46768690  0.53231310  0.75000000  1.0
  Au  Au16  1  0.32319379  0.06983072  0.25000000  1.0
  Au  Au17  1  0.06983072  0.32319379  0.75000000  1.0
  Au  Au18  1  0.67680621  0.93016928  0.75000000  1.0
  Au  Au19  1  0.93016928  0.67680621  0.25000000  1.0
  Au  Au20  1  0.57601341  0.00773420  0.39898359  1.0
  Au  Au21  1  0.00773420  0.57601341  0.60101641  1.0
  Au  Au22  1  0.57601341  0.00773420  0.10101641  1.0
  Au  Au23  1  0.00773420  0.57601341  0.89898359  1.0
  Au  Au24  1  0.42398659  0.99226580  0.60101641  1.0
  Au  Au25  1  0.99226580  0.42398659  0.39898359  1.0
  Au  Au26  1  0.42398659  0.99226580  0.89898359  1.0
  Au  Au27  1  0.99226580  0.42398659  0.10101641  1.0
  Au  Au28  1  0.68032772  0.73491586  0.39656266  1.0
  Au  Au29  1  0.73491586  0.68032772  0.60343734  1.0
  Au  Au30  1  0.68032772  0.73491586  0.10343734  1.0
  Au  Au31  1  0.73491586  0.68032772  0.89656266  1.0
  Au  Au32  1  0.31967228  0.26508414  0.60343734  1.0
  Au  Au33  1  0.26508414  0.31967228  0.39656266  1.0
  Au  Au34  1  0.31967228  0.26508414  0.89656266  1.0
  Au  Au35  1  0.26508414  0.31967228  0.10343734  1.0