# generated using pymatgen
data_NdIr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.33966564
_cell_length_b   9.33966564
_cell_length_c   9.33966677
_cell_angle_alpha   33.32487186
_cell_angle_beta   33.32487186
_cell_angle_gamma   33.32487762
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdIr3
_chemical_formula_sum   'Nd3 Ir9'
_cell_volume   218.94047662
_cell_formula_units_Z   3
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  0.86045231  0.86045231  0.86045231  1.0
  Nd  Nd1  1  0.13954769  0.13954769  0.13954769  1.0
  Nd  Nd2  1  0.00000000  -0.00000000  0.00000000  1.0
  Ir  Ir3  1  0.42141614  0.91527884  0.42141614  1.0
  Ir  Ir4  1  0.42141614  0.42141614  0.91527884  1.0
  Ir  Ir5  1  0.91527884  0.42141614  0.42141614  1.0
  Ir  Ir6  1  0.57858386  0.08472116  0.57858386  1.0
  Ir  Ir7  1  0.57858386  0.57858386  0.08472116  1.0
  Ir  Ir8  1  0.08472116  0.57858386  0.57858386  1.0
  Ir  Ir9  1  0.66821892  0.66821892  0.66821892  1.0
  Ir  Ir10  1  0.33178108  0.33178108  0.33178108  1.0
  Ir  Ir11  1  0.50000000  0.50000000  0.50000000  1.0