# generated using pymatgen
data_Nb6Al3CuN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.02933805
_cell_length_b   7.02664571
_cell_length_c   7.03389696
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.16932707
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb6Al3CuN2
_chemical_formula_sum   'Nb12 Al6 Cu2 N4'
_cell_volume   347.42142043
_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  0.79232712  0.95633547  0.37521354  1.0
  Nb  Nb1  1  0.70767288  0.04366453  0.87521354  1.0
  Nb  Nb2  1  0.20422376  0.45569066  0.12683314  1.0
  Nb  Nb3  1  0.29577624  0.54430934  0.62683314  1.0
  Nb  Nb4  1  0.95597490  0.37727135  0.79296026  1.0
  Nb  Nb5  1  0.04299306  0.87093720  0.70658354  1.0
  Nb  Nb6  1  0.45700694  0.12906280  0.20658354  1.0
  Nb  Nb7  1  0.54402510  0.62272865  0.29296026  1.0
  Nb  Nb8  1  0.37673817  0.79290198  0.95556325  1.0
  Nb  Nb9  1  0.87283685  0.70641140  0.04350435  1.0
  Nb  Nb10  1  0.12326183  0.20709802  0.45556325  1.0
  Nb  Nb11  1  0.62716315  0.29358860  0.54350435  1.0
  Al  Al12  1  0.82395693  0.32147829  0.17603739  1.0
  Al  Al13  1  0.67604307  0.67852171  0.67603739  1.0
  Al  Al14  1  0.56188055  0.41832115  0.92429902  1.0
  Al  Al15  1  0.41588294  0.93358456  0.57215622  1.0
  Al  Al16  1  0.93811945  0.58167885  0.42429902  1.0
  Al  Al17  1  0.08411706  0.06641544  0.07215622  1.0
  Cu  Cu18  1  0.18058372  0.82278469  0.32027064  1.0
  Cu  Cu19  1  0.31941628  0.17721531  0.82027064  1.0
  N  N20  1  0.87822461  0.12322358  0.62733439  1.0
  N  N21  1  0.62177539  0.87677642  0.12733439  1.0
  N  N22  1  0.12652634  0.62439521  0.87924526  1.0
  N  N23  1  0.37347366  0.37560479  0.37924526  1.0