# generated using pymatgen
data_Th3Sc(Ga3Ir)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.59228696
_cell_length_b   7.61388804
_cell_length_c   9.39993974
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.75286471
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th3Sc(Ga3Ir)6
_chemical_formula_sum   'Th3 Sc1 Ga18 Ir6'
_cell_volume   471.74895566
_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  0.99765820  0.66964829  0.25000000  1.0
  Th  Th1  1  0.00083084  0.33046797  0.75000000  1.0
  Th  Th2  1  0.66996122  0.99661371  0.25000000  1.0
  Sc  Sc3  1  0.32774434  0.00488833  0.75000000  1.0
  Ga  Ga4  1  0.13842948  0.13274656  0.25000000  1.0
  Ga  Ga5  1  0.86997614  0.86926445  0.75000000  1.0
  Ga  Ga6  1  0.00769774  0.33488465  0.07875393  1.0
  Ga  Ga7  1  0.00494267  0.67598044  0.91510364  1.0
  Ga  Ga8  1  0.00494267  0.67598044  0.58489636  1.0
  Ga  Ga9  1  0.33498256  0.00475054  0.43242190  1.0
  Ga  Ga10  1  0.00769774  0.33488465  0.42124607  1.0
  Ga  Ga11  1  0.65380879  0.99538322  0.58492766  1.0
  Ga  Ga12  1  0.65380879  0.99538322  0.91507234  1.0
  Ga  Ga13  1  0.33498256  0.00475054  0.06757810  1.0
  Ga  Ga14  1  0.33682390  0.32832598  0.57101353  1.0
  Ga  Ga15  1  0.66142279  0.66115424  0.44114616  1.0
  Ga  Ga16  1  0.66142279  0.66115424  0.05885384  1.0
  Ga  Ga17  1  0.33682390  0.32832598  0.92898647  1.0
  Ga  Ga18  1  0.34193406  0.54142021  0.25000000  1.0
  Ga  Ga19  1  0.65701313  0.45065120  0.75000000  1.0
  Ga  Ga20  1  0.54106212  0.33661288  0.25000000  1.0
  Ga  Ga21  1  0.45558851  0.66362822  0.75000000  1.0
  Ir  Ir22  1  0.67645720  0.33091640  0.99978682  1.0
  Ir  Ir23  1  0.32695382  0.67006757  0.99961400  1.0
  Ir  Ir24  1  0.32695382  0.67006757  0.50038600  1.0
  Ir  Ir25  1  0.67645720  0.33091640  0.50021318  1.0
  Ir  Ir26  1  0.99681101  0.00056656  0.99972093  1.0
  Ir  Ir27  1  0.99681101  0.00056656  0.50027907  1.0