# generated using pymatgen
data_Nb3AlCuN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.99586141
_cell_length_b   6.99586141
_cell_length_c   6.99586141
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3AlCuN
_chemical_formula_sum   'Nb12 Al4 Cu4 N4'
_cell_volume   342.39198745
_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  0.79210057  0.95715054  0.37409284  1.0
  Nb  Nb1  1  0.70789943  0.04284946  0.87409284  1.0
  Nb  Nb2  1  0.20789943  0.45715054  0.12590716  1.0
  Nb  Nb3  1  0.29210057  0.54284946  0.62590716  1.0
  Nb  Nb4  1  0.95715054  0.37409284  0.79210057  1.0
  Nb  Nb5  1  0.04284946  0.87409284  0.70789943  1.0
  Nb  Nb6  1  0.45715054  0.12590716  0.20789943  1.0
  Nb  Nb7  1  0.54284946  0.62590716  0.29210057  1.0
  Nb  Nb8  1  0.37409284  0.79210057  0.95715054  1.0
  Nb  Nb9  1  0.87409284  0.70789943  0.04284946  1.0
  Nb  Nb10  1  0.12590716  0.20789943  0.45715054  1.0
  Nb  Nb11  1  0.62590716  0.29210057  0.54284946  1.0
  Al  Al12  1  0.57401299  0.42598701  0.92598701  1.0
  Al  Al13  1  0.42598701  0.92598701  0.57401299  1.0
  Al  Al14  1  0.92598701  0.57401299  0.42598701  1.0
  Al  Al15  1  0.07401299  0.07401299  0.07401299  1.0
  Cu  Cu16  1  0.17852214  0.82147786  0.32147786  1.0
  Cu  Cu17  1  0.32147786  0.17852214  0.82147786  1.0
  Cu  Cu18  1  0.82147786  0.32147786  0.17852214  1.0
  Cu  Cu19  1  0.67852214  0.67852214  0.67852214  1.0
  N  N20  1  0.87713505  0.12286495  0.62286495  1.0
  N  N21  1  0.62286495  0.87713505  0.12286495  1.0
  N  N22  1  0.12286495  0.62286495  0.87713505  1.0
  N  N23  1  0.37713505  0.37713505  0.37713505  1.0