# generated using pymatgen
data_NdTh3(Ga3Ir)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.62996028
_cell_length_b   7.63659876
_cell_length_c   9.46040118
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.68172442
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdTh3(Ga3Ir)6
_chemical_formula_sum   'Nd1 Th3 Ga18 Ir6'
_cell_volume   478.90169043
_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
  Nd  Nd0  1  0.32988959  0.00368354  0.75000000  1.0
  Th  Th1  1  0.99787442  0.67052205  0.25000000  1.0
  Th  Th2  1  0.00149678  0.33036222  0.75000000  1.0
  Th  Th3  1  0.67038546  0.99715201  0.25000000  1.0
  Ga  Ga4  1  0.13624544  0.13422733  0.25000000  1.0
  Ga  Ga5  1  0.86770661  0.86734680  0.75000000  1.0
  Ga  Ga6  1  0.00640374  0.33518719  0.07872457  1.0
  Ga  Ga7  1  0.99780806  0.66887957  0.92054048  1.0
  Ga  Ga8  1  0.99780806  0.66887957  0.57945952  1.0
  Ga  Ga9  1  0.33539385  0.00549133  0.42514627  1.0
  Ga  Ga10  1  0.00640374  0.33518719  0.42127543  1.0
  Ga  Ga11  1  0.66124732  0.99433203  0.57931248  1.0
  Ga  Ga12  1  0.66124732  0.99433203  0.92068752  1.0
  Ga  Ga13  1  0.33539385  0.00549133  0.07485373  1.0
  Ga  Ga14  1  0.33700005  0.33410524  0.56419032  1.0
  Ga  Ga15  1  0.66175149  0.66155151  0.43867488  1.0
  Ga  Ga16  1  0.66175149  0.66155151  0.06132512  1.0
  Ga  Ga17  1  0.33700005  0.33410524  0.93580968  1.0
  Ga  Ga18  1  0.34081463  0.54204303  0.25000000  1.0
  Ga  Ga19  1  0.65887306  0.45544386  0.75000000  1.0
  Ga  Ga20  1  0.54259637  0.33904348  0.25000000  1.0
  Ga  Ga21  1  0.45627534  0.66171029  0.75000000  1.0
  Ir  Ir22  1  0.67499944  0.32985298  0.00124987  1.0
  Ir  Ir23  1  0.32735189  0.67026006  0.00141849  1.0
  Ir  Ir24  1  0.32735189  0.67026006  0.49858151  1.0
  Ir  Ir25  1  0.67499944  0.32985298  0.49875013  1.0
  Ir  Ir26  1  0.99696530  0.99957177  0.00190842  1.0
  Ir  Ir27  1  0.99696530  0.99957177  0.49809158  1.0