# generated using pymatgen
data_Nd2TiIr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.72192079
_cell_length_b   5.22717948
_cell_length_c   5.72192129
_cell_angle_alpha   56.81638063
_cell_angle_beta   59.99999710
_cell_angle_gamma   56.81637804
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2TiIr3
_chemical_formula_sum   'Nd2 Ti1 Ir3'
_cell_volume   114.85975526
_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  0.75050247  0.74849258  0.75050247  1.0
  Nd  Nd1  1  0.49949753  0.50150742  0.49949753  1.0
  Ti  Ti2  1  0.12500000  0.62500000  0.12500000  1.0
  Ir  Ir3  1  0.12500000  0.12500000  0.62500000  1.0
  Ir  Ir4  1  0.62500000  0.12500000  0.12500000  1.0
  Ir  Ir5  1  0.12500000  0.12500000  0.12500000  1.0