# generated using pymatgen
data_Nd3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.57892157
_cell_length_b   7.35462087
_cell_length_c   9.90054643
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd3Ir
_chemical_formula_sum   'Nd12 Ir4'
_cell_volume   479.04263069
_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  0.32418299  0.66939681  0.06591381  1.0
  Nd  Nd1  1  0.17581701  0.16939681  0.43408619  1.0
  Nd  Nd2  1  0.67581701  0.33060319  0.56591381  1.0
  Nd  Nd3  1  0.82418299  0.83060319  0.93408619  1.0
  Nd  Nd4  1  0.67581701  0.33060319  0.93408619  1.0
  Nd  Nd5  1  0.82418299  0.83060319  0.56591381  1.0
  Nd  Nd6  1  0.32418299  0.66939681  0.43408619  1.0
  Nd  Nd7  1  0.17581701  0.16939681  0.06591381  1.0
  Nd  Nd8  1  0.85683893  0.54012023  0.25000000  1.0
  Nd  Nd9  1  0.64316107  0.04012023  0.25000000  1.0
  Nd  Nd10  1  0.14316107  0.45987977  0.75000000  1.0
  Nd  Nd11  1  0.35683893  0.95987977  0.75000000  1.0
  Ir  Ir12  1  0.05968125  0.88009876  0.25000000  1.0
  Ir  Ir13  1  0.44031875  0.38009876  0.25000000  1.0
  Ir  Ir14  1  0.94031875  0.11990124  0.75000000  1.0
  Ir  Ir15  1  0.55968125  0.61990124  0.75000000  1.0