# generated using pymatgen
data_Nd3AlIr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69647847
_cell_length_b   5.69647683
_cell_length_c   14.14637967
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   137.56527528
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd3AlIr3
_chemical_formula_sum   'Nd6 Al2 Ir6'
_cell_volume   309.74255632
_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  0.78870007  0.21129993  0.39300370  1.0
  Nd  Nd1  1  0.21129993  0.78870007  0.60699630  1.0
  Nd  Nd2  1  0.78870007  0.21129993  0.10699630  1.0
  Nd  Nd3  1  0.21129993  0.78870007  0.89300370  1.0
  Nd  Nd4  1  0.50904819  0.49095181  0.25000000  1.0
  Nd  Nd5  1  0.49095181  0.50904819  0.75000000  1.0
  Al  Al6  1  0.50000000  0.50000000  0.50000000  1.0
  Al  Al7  1  0.50000000  0.50000000  0.00000000  1.0
  Ir  Ir8  1  0.07717030  0.92282970  0.41339921  1.0
  Ir  Ir9  1  0.92282970  0.07717030  0.58660079  1.0
  Ir  Ir10  1  0.07717030  0.92282970  0.08660079  1.0
  Ir  Ir11  1  0.92282970  0.07717030  0.91339921  1.0
  Ir  Ir12  1  0.22192483  0.77807517  0.25000000  1.0
  Ir  Ir13  1  0.77807517  0.22192483  0.75000000  1.0