# generated using pymatgen
data_NdSiIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33666694
_cell_length_b   6.33666694
_cell_length_c   6.33666694
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdSiIr
_chemical_formula_sum   'Nd4 Si4 Ir4'
_cell_volume   254.43839222
_cell_formula_units_Z   4
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  0.37610599  0.87610599  0.62389401  1.0
  Nd  Nd1  1  0.87610599  0.62389401  0.37610599  1.0
  Nd  Nd2  1  0.62389401  0.37610599  0.87610599  1.0
  Nd  Nd3  1  0.12389401  0.12389401  0.12389401  1.0
  Si  Si4  1  0.66250219  0.16250219  0.33749781  1.0
  Si  Si5  1  0.16250219  0.33749781  0.66250219  1.0
  Si  Si6  1  0.33749781  0.66250219  0.16250219  1.0
  Si  Si7  1  0.83749781  0.83749781  0.83749781  1.0
  Ir  Ir8  1  0.06820529  0.56820529  0.93179471  1.0
  Ir  Ir9  1  0.56820529  0.93179471  0.06820529  1.0
  Ir  Ir10  1  0.93179471  0.06820529  0.56820529  1.0
  Ir  Ir11  1  0.43179471  0.43179471  0.43179471  1.0