# generated using pymatgen
data_Nb3Al2PdN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.32154029
_cell_length_b   8.32154020
_cell_length_c   8.32154114
_cell_angle_alpha   60.00000409
_cell_angle_beta   60.00000447
_cell_angle_gamma   59.99999579
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3Al2PdN
_chemical_formula_sum   'Nb12 Al8 Pd4 N4'
_cell_volume   407.47054177
_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
  Nb  Nb0  1  0.81664896  0.81664896  0.18335104  1.0
  Nb  Nb1  1  0.06664896  0.43335104  0.43335104  1.0
  Nb  Nb2  1  0.43335104  0.06664896  0.06664896  1.0
  Nb  Nb3  1  0.06664896  0.06664896  0.43335104  1.0
  Nb  Nb4  1  0.06664896  0.43335104  0.06664896  1.0
  Nb  Nb5  1  0.43335104  0.06664896  0.43335104  1.0
  Nb  Nb6  1  0.18335104  0.81664896  0.18335104  1.0
  Nb  Nb7  1  0.18335104  0.81664896  0.81664896  1.0
  Nb  Nb8  1  0.81664896  0.18335104  0.18335104  1.0
  Nb  Nb9  1  0.81664896  0.18335104  0.81664896  1.0
  Nb  Nb10  1  0.43335104  0.43335104  0.06664896  1.0
  Nb  Nb11  1  0.18335104  0.18335104  0.81664896  1.0
  Al  Al12  1  0.41618626  0.75143921  0.41618626  1.0
  Al  Al13  1  0.83381374  0.83381374  0.49856079  1.0
  Al  Al14  1  0.49856079  0.83381374  0.83381374  1.0
  Al  Al15  1  0.83381374  0.83381374  0.83381374  1.0
  Al  Al16  1  0.75143921  0.41618626  0.41618626  1.0
  Al  Al17  1  0.41618626  0.41618626  0.41618626  1.0
  Al  Al18  1  0.41618626  0.41618626  0.75143921  1.0
  Al  Al19  1  0.83381374  0.49856079  0.83381374  1.0
  Pd  Pd20  1  0.62500000  0.12500000  0.62500000  1.0
  Pd  Pd21  1  0.62500000  0.62500000  0.12500000  1.0
  Pd  Pd22  1  0.12500000  0.62500000  0.62500000  1.0
  Pd  Pd23  1  0.62500000  0.62500000  0.62500000  1.0
  N  N24  1  0.12500000  0.62500000  0.12500000  1.0
  N  N25  1  0.12500000  0.12500000  0.62500000  1.0
  N  N26  1  0.62500000  0.12500000  0.12500000  1.0
  N  N27  1  0.12500000  0.12500000  0.12500000  1.0