# generated using pymatgen
data_Nd2Th(InIr)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.55676363
_cell_length_b   7.55676452
_cell_length_c   4.04843409
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   118.31937005
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2Th(InIr)3
_chemical_formula_sum   'Nd2 Th1 In3 Ir3'
_cell_volume   203.51569285
_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  0.40959030  0.00045983  0.00000000  1.0
  Nd  Nd1  1  0.00045983  0.40959030  0.00000000  1.0
  Th  Th2  1  0.58432430  0.58432430  0.00000000  1.0
  In  In3  1  0.00775488  0.74970568  0.50000000  1.0
  In  In4  1  0.23976949  0.23976949  0.50000000  1.0
  In  In5  1  0.74970568  0.00775488  0.50000000  1.0
  Ir  Ir6  1  0.99072803  0.99072803  0.00000000  1.0
  Ir  Ir7  1  0.66375930  0.35390820  0.50000000  1.0
  Ir  Ir8  1  0.35390820  0.66375930  0.50000000  1.0