# generated using pymatgen
data_Zr3Nb17(Al4Cu)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.97918989
_cell_length_b   9.97918989
_cell_length_c   5.23129480
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.95501442
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Nb17(Al4Cu)2
_chemical_formula_sum   'Zr3 Nb17 Al8 Cu2'
_cell_volume   520.95430937
_cell_formula_units_Z   1
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
  Zr  Zr0  1  0.40151173  0.40151173  0.00000000  1.0
  Zr  Zr1  1  0.89753649  0.10217434  0.50000000  1.0
  Zr  Zr2  1  0.10217434  0.89753649  0.50000000  1.0
  Nb  Nb3  1  0.60465335  0.60465335  0.00000000  1.0
  Nb  Nb4  1  0.12710153  0.46752371  0.00000000  1.0
  Nb  Nb5  1  0.96573794  0.37396542  0.50000000  1.0
  Nb  Nb6  1  0.03136513  0.62704587  0.50000000  1.0
  Nb  Nb7  1  0.86900157  0.53394910  0.00000000  1.0
  Nb  Nb8  1  0.37396542  0.96573794  0.50000000  1.0
  Nb  Nb9  1  0.62704587  0.03136513  0.50000000  1.0
  Nb  Nb10  1  0.46752371  0.12710153  0.00000000  1.0
  Nb  Nb11  1  0.53394910  0.86900157  0.00000000  1.0
  Nb  Nb12  1  0.18495937  0.18495937  0.25201117  1.0
  Nb  Nb13  1  0.68387152  0.31694053  0.75340523  1.0
  Nb  Nb14  1  0.31694053  0.68387152  0.75340523  1.0
  Nb  Nb15  1  0.81424816  0.81424816  0.25222187  1.0
  Nb  Nb16  1  0.31694053  0.68387152  0.24659477  1.0
  Nb  Nb17  1  0.68387152  0.31694053  0.24659477  1.0
  Nb  Nb18  1  0.18495937  0.18495937  0.74798883  1.0
  Nb  Nb19  1  0.81424816  0.81424816  0.74777813  1.0
  Al  Al20  1  0.25783615  0.93704756  0.00000000  1.0
  Al  Al21  1  0.43749099  0.24322276  0.50000000  1.0
  Al  Al22  1  0.56319858  0.75336577  0.50000000  1.0
  Al  Al23  1  0.74265405  0.06258662  0.00000000  1.0
  Al  Al24  1  0.24322276  0.43749099  0.50000000  1.0
  Al  Al25  1  0.75336577  0.56319858  0.50000000  1.0
  Al  Al26  1  0.93704756  0.25783615  0.00000000  1.0
  Al  Al27  1  0.06258662  0.74265405  0.00000000  1.0
  Cu  Cu28  1  0.99992501  0.99992501  0.00000000  1.0
  Cu  Cu29  1  0.50106820  0.50106820  0.50000000  1.0