# generated using pymatgen
data_NdY3(Si3Ir)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.16710413
_cell_length_b   8.16710413
_cell_length_c   8.10688549
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999205
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdY3(Si3Ir)2
_chemical_formula_sum   'Nd2 Y6 Si12 Ir4'
_cell_volume   468.29647748
_cell_formula_units_Z   2
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  0.00000000  0.00000000  0.25000000  1.0
  Nd  Nd1  1  0.00000000  0.00000000  0.75000000  1.0
  Y  Y2  1  0.50751683  0.49248317  0.25000000  1.0
  Y  Y3  1  0.50751683  0.01503366  0.25000000  1.0
  Y  Y4  1  0.98496634  0.49248317  0.25000000  1.0
  Y  Y5  1  0.49248317  0.50751683  0.75000000  1.0
  Y  Y6  1  0.49248317  0.98496634  0.75000000  1.0
  Y  Y7  1  0.01503366  0.50751683  0.75000000  1.0
  Si  Si8  1  0.16808929  0.83191071  0.50033390  1.0
  Si  Si9  1  0.16808929  0.33617857  0.50033390  1.0
  Si  Si10  1  0.66382143  0.83191071  0.50033390  1.0
  Si  Si11  1  0.83191071  0.16808929  0.49966610  1.0
  Si  Si12  1  0.83191071  0.66382143  0.49966610  1.0
  Si  Si13  1  0.33617857  0.16808929  0.49966610  1.0
  Si  Si14  1  0.83191071  0.16808929  0.00033390  1.0
  Si  Si15  1  0.83191071  0.66382143  0.00033390  1.0
  Si  Si16  1  0.33617857  0.16808929  0.00033390  1.0
  Si  Si17  1  0.16808929  0.83191071  0.99966610  1.0
  Si  Si18  1  0.16808929  0.33617857  0.99966610  1.0
  Si  Si19  1  0.66382143  0.83191071  0.99966610  1.0
  Ir  Ir20  1  0.33333300  0.66666700  0.47362417  1.0
  Ir  Ir21  1  0.66666700  0.33333300  0.52637583  1.0
  Ir  Ir22  1  0.66666700  0.33333300  0.97362417  1.0
  Ir  Ir23  1  0.33333300  0.66666700  0.02637583  1.0