# generated using pymatgen
data_Nb6Al3PdN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.05173402
_cell_length_b   7.06233295
_cell_length_c   7.06263330
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.31199842
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb6Al3PdN2
_chemical_formula_sum   'Nb12 Al6 Pd2 N4'
_cell_volume   351.72588426
_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
  Nb  Nb0  1  0.79012521  0.95764578  0.37697908  1.0
  Nb  Nb1  1  0.70987479  0.04235422  0.87697908  1.0
  Nb  Nb2  1  0.20605413  0.45397116  0.12602536  1.0
  Nb  Nb3  1  0.29394587  0.54602884  0.62602536  1.0
  Nb  Nb4  1  0.95497224  0.38103705  0.79059441  1.0
  Nb  Nb5  1  0.04145215  0.86891340  0.70857323  1.0
  Nb  Nb6  1  0.45854785  0.13108660  0.20857323  1.0
  Nb  Nb7  1  0.54502776  0.61896295  0.29059441  1.0
  Nb  Nb8  1  0.38015678  0.78919961  0.95496921  1.0
  Nb  Nb9  1  0.87133908  0.70620720  0.04252501  1.0
  Nb  Nb10  1  0.11984322  0.21080039  0.45496921  1.0
  Nb  Nb11  1  0.62866092  0.29379280  0.54252501  1.0
  Al  Al12  1  0.82432145  0.32091000  0.17585409  1.0
  Al  Al13  1  0.67567855  0.67909000  0.67585409  1.0
  Al  Al14  1  0.56285550  0.41993747  0.92515216  1.0
  Al  Al15  1  0.41844072  0.93365662  0.57108113  1.0
  Al  Al16  1  0.93714450  0.58006253  0.42515216  1.0
  Al  Al17  1  0.08155928  0.06634338  0.07108113  1.0
  Pd  Pd18  1  0.18236053  0.82351263  0.31830975  1.0
  Pd  Pd19  1  0.31763947  0.17648737  0.81830975  1.0
  N  N20  1  0.87928064  0.12227156  0.62915648  1.0
  N  N21  1  0.62071936  0.87772844  0.12915648  1.0
  N  N22  1  0.12759835  0.62500981  0.88078111  1.0
  N  N23  1  0.37240165  0.37499019  0.38078111  1.0