# generated using pymatgen
data_NdTh2(GaIr)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.28775999
_cell_length_b   7.28776064
_cell_length_c   4.04774054
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.71952136
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdTh2(GaIr)3
_chemical_formula_sum   'Nd1 Th2 Ga3 Ir3'
_cell_volume   184.81481373
_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  0.41408550  0.41408550  0.50000000  1.0
  Th  Th1  1  0.58546889  0.00118322  0.50000000  1.0
  Th  Th2  1  0.00118322  0.58546889  0.50000000  1.0
  Ga  Ga3  1  0.75609174  0.75609174  0.00000000  1.0
  Ga  Ga4  1  0.23364716  0.00720021  0.00000000  1.0
  Ga  Ga5  1  0.00720021  0.23364716  0.00000000  1.0
  Ir  Ir6  1  0.68547189  0.32917478  0.00000000  1.0
  Ir  Ir7  1  0.32917478  0.68547189  0.00000000  1.0
  Ir  Ir8  1  0.98767461  0.98767461  0.50000000  1.0