# generated using pymatgen
data_Th2Sc3Ga4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.39894640
_cell_length_b   7.68926951
_cell_length_c   14.53677960
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2Sc3Ga4
_chemical_formula_sum   'Th8 Sc12 Ga16'
_cell_volume   827.03363054
_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  0.98804865  0.17868110  0.09688905  1.0
  Th  Th1  1  0.48804865  0.32131890  0.40311095  1.0
  Th  Th2  1  0.51195135  0.67868110  0.90311095  1.0
  Th  Th3  1  0.01195135  0.82131890  0.59688905  1.0
  Th  Th4  1  0.01195135  0.82131890  0.90311095  1.0
  Th  Th5  1  0.51195135  0.67868110  0.59688905  1.0
  Th  Th6  1  0.48804865  0.32131890  0.09688905  1.0
  Th  Th7  1  0.98804865  0.17868110  0.40311095  1.0
  Sc  Sc8  1  0.66551285  0.99531527  0.25000000  1.0
  Sc  Sc9  1  0.16551285  0.50468473  0.25000000  1.0
  Sc  Sc10  1  0.83448715  0.49531527  0.75000000  1.0
  Sc  Sc11  1  0.33448715  0.00468473  0.75000000  1.0
  Sc  Sc12  1  0.82881960  0.67068532  0.12513214  1.0
  Sc  Sc13  1  0.32881960  0.82931468  0.37486786  1.0
  Sc  Sc14  1  0.67118040  0.17068532  0.87486786  1.0
  Sc  Sc15  1  0.17118040  0.32931468  0.62513214  1.0
  Sc  Sc16  1  0.17118040  0.32931468  0.87486786  1.0
  Sc  Sc17  1  0.67118040  0.17068532  0.62513214  1.0
  Sc  Sc18  1  0.32881960  0.82931468  0.12513214  1.0
  Sc  Sc19  1  0.82881960  0.67068532  0.37486786  1.0
  Ga  Ga20  1  0.78984936  0.37649617  0.25000000  1.0
  Ga  Ga21  1  0.28984936  0.12350383  0.25000000  1.0
  Ga  Ga22  1  0.71015064  0.87649617  0.75000000  1.0
  Ga  Ga23  1  0.21015064  0.62350383  0.75000000  1.0
  Ga  Ga24  1  0.03049917  0.87831132  0.25000000  1.0
  Ga  Ga25  1  0.53049917  0.62168868  0.25000000  1.0
  Ga  Ga26  1  0.46950083  0.37831132  0.75000000  1.0
  Ga  Ga27  1  0.96950083  0.12168868  0.75000000  1.0
  Ga  Ga28  1  0.84023947  0.46174433  0.95998025  1.0
  Ga  Ga29  1  0.34023947  0.03825567  0.54001975  1.0
  Ga  Ga30  1  0.65976053  0.96174433  0.04001975  1.0
  Ga  Ga31  1  0.15976053  0.53825567  0.45998025  1.0
  Ga  Ga32  1  0.15976053  0.53825567  0.04001975  1.0
  Ga  Ga33  1  0.65976053  0.96174433  0.45998025  1.0
  Ga  Ga34  1  0.34023947  0.03825567  0.95998025  1.0
  Ga  Ga35  1  0.84023947  0.46174433  0.54001975  1.0