# generated using pymatgen
data_Th8Sc5InAu20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.72750172
_cell_length_b   8.72741458
_cell_length_c   10.27092169
_cell_angle_alpha   89.82570715
_cell_angle_beta   90.17460992
_cell_angle_gamma   107.89173277
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th8Sc5InAu20
_chemical_formula_sum   'Th8 Sc5 In1 Au20'
_cell_volume   744.48165743
_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
  Th  Th0  1  0.69246797  0.30097557  0.99576761  1.0
  Th  Th1  1  0.19928746  0.80608601  0.50352031  1.0
  Th  Th2  1  0.80376325  0.80538323  0.29804457  1.0
  Th  Th3  1  0.30538053  0.30376505  0.20195515  1.0
  Th  Th4  1  0.80098042  0.19246908  0.50422677  1.0
  Th  Th5  1  0.30607694  0.69928737  0.99648115  1.0
  Th  Th6  1  0.69795978  0.70200894  0.80087552  1.0
  Th  Th7  1  0.20200532  0.19795223  0.69911297  1.0
  Sc  Sc8  1  0.50548717  0.00549134  0.25000072  1.0
  Sc  Sc9  1  0.99122514  0.49121879  0.75000223  1.0
  Sc  Sc10  1  0.00408262  0.00372510  0.00583567  1.0
  Sc  Sc11  1  0.00446785  0.50446619  0.25000215  1.0
  Sc  Sc12  1  0.50371476  0.50407753  0.49417156  1.0
  In  In13  1  0.49586650  0.99586454  0.74999565  1.0
  Au  Au14  1  0.14986566  0.43914912  0.48992235  1.0
  Au  Au15  1  0.90033930  0.89773476  0.59490535  1.0
  Au  Au16  1  0.56121696  0.84594672  0.50668216  1.0
  Au  Au17  1  0.86577030  0.15936144  0.20803291  1.0
  Au  Au18  1  0.36137043  0.65499393  0.29381538  1.0
  Au  Au19  1  0.65935622  0.36577629  0.29197296  1.0
  Au  Au20  1  0.39772401  0.40030709  0.90508963  1.0
  Au  Au21  1  0.93913686  0.64988509  0.01010036  1.0
  Au  Au22  1  0.34142695  0.61997249  0.70356793  1.0
  Au  Au23  1  0.34590926  0.06119312  0.99329804  1.0
  Au  Au24  1  0.59834951  0.59668391  0.09786416  1.0
  Au  Au25  1  0.66109528  0.93792889  0.01745891  1.0
  Au  Au26  1  0.09668359  0.09836954  0.40213553  1.0
  Au  Au27  1  0.63041826  0.35434901  0.70276340  1.0
  Au  Au28  1  0.11995454  0.84140160  0.79642846  1.0
  Au  Au29  1  0.05909024  0.35224470  0.99698004  1.0
  Au  Au30  1  0.85224190  0.55910589  0.50301791  1.0
  Au  Au31  1  0.15499739  0.86137457  0.20619099  1.0
  Au  Au32  1  0.43791169  0.16108515  0.48253478  1.0
  Au  Au33  1  0.85437594  0.13036769  0.79724570  1.0