# generated using pymatgen
data_Th2Sc3GaSi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.27625154
_cell_length_b   7.49902013
_cell_length_c   14.42834767
_cell_angle_alpha   90.09313531
_cell_angle_beta   90.24602048
_cell_angle_gamma   89.96039928
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2Sc3GaSi3
_chemical_formula_sum   'Th8 Sc12 Ga4 Si12'
_cell_volume   787.27079810
_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
  Th  Th0  1  0.00253445  0.17037014  0.09635509  1.0
  Th  Th1  1  0.99928236  0.82876062  0.90298569  1.0
  Th  Th2  1  0.49401582  0.67728836  0.90255872  1.0
  Th  Th3  1  0.99235784  0.82913108  0.60130711  1.0
  Th  Th4  1  0.50222784  0.32124822  0.09581043  1.0
  Th  Th5  1  0.00353313  0.17230903  0.40055928  1.0
  Th  Th6  1  0.50733972  0.32448430  0.39959026  1.0
  Th  Th7  1  0.49558545  0.67684866  0.60107511  1.0
  Sc  Sc8  1  0.16634005  0.50235596  0.75339954  1.0
  Sc  Sc9  1  0.83287829  0.49713141  0.24854473  1.0
  Sc  Sc10  1  0.33269435  0.00045206  0.24627308  1.0
  Sc  Sc11  1  0.66696110  0.00026032  0.75219749  1.0
  Sc  Sc12  1  0.33981594  0.17454364  0.62734120  1.0
  Sc  Sc13  1  0.66255893  0.82674757  0.37299411  1.0
  Sc  Sc14  1  0.16406933  0.67280883  0.37222757  1.0
  Sc  Sc15  1  0.65898336  0.82897488  0.12374813  1.0
  Sc  Sc16  1  0.83558497  0.32590875  0.62755813  1.0
  Sc  Sc17  1  0.34001205  0.17306598  0.87625842  1.0
  Sc  Sc18  1  0.83800030  0.32572701  0.87417438  1.0
  Sc  Sc19  1  0.16445718  0.67270488  0.12521504  1.0
  Ga  Ga20  1  0.16262653  0.46005915  0.53962735  1.0
  Ga  Ga21  1  0.83919525  0.54147893  0.46191215  1.0
  Ga  Ga22  1  0.33792046  0.95913842  0.46129591  1.0
  Ga  Ga23  1  0.83647157  0.53933011  0.03806766  1.0
  Si  Si24  1  0.04297179  0.12327159  0.75142378  1.0
  Si  Si25  1  0.95762195  0.87630114  0.24886438  1.0
  Si  Si26  1  0.46082812  0.62035197  0.24773876  1.0
  Si  Si27  1  0.54006682  0.37992041  0.75177853  1.0
  Si  Si28  1  0.29393671  0.88008177  0.75113662  1.0
  Si  Si29  1  0.70634352  0.12116972  0.24820276  1.0
  Si  Si30  1  0.20589974  0.37558976  0.24866578  1.0
  Si  Si31  1  0.79449400  0.62298081  0.75212500  1.0
  Si  Si32  1  0.66060559  0.04067340  0.53850783  1.0
  Si  Si33  1  0.16197465  0.46040857  0.96198325  1.0
  Si  Si34  1  0.66891048  0.04034869  0.95908022  1.0
  Si  Si35  1  0.33090335  0.95777383  0.03941852  1.0