# generated using pymatgen
data_BaNbCu4P4O17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.71417938
_cell_length_b   9.71417938
_cell_length_c   7.23004989
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNbCu4P4O17
_chemical_formula_sum   'Ba2 Nb2 Cu8 P8 O34'
_cell_volume   682.26568925
_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
  Ba  Ba0  1  0.50000000  0.50000000  0.00000000  1.0
  Ba  Ba1  1  0.00000000  0.00000000  0.00000000  1.0
  Nb  Nb2  1  0.00000000  0.50000000  0.97571610  1.0
  Nb  Nb3  1  0.50000000  0.00000000  0.02428390  1.0
  Cu  Cu4  1  0.76538971  0.51226217  0.40698788  1.0
  Cu  Cu5  1  0.23461029  0.48773783  0.40698788  1.0
  Cu  Cu6  1  0.73461029  0.01226217  0.59301212  1.0
  Cu  Cu7  1  0.26538971  0.98773783  0.59301212  1.0
  Cu  Cu8  1  0.51226217  0.76538971  0.59301212  1.0
  Cu  Cu9  1  0.48773783  0.23461029  0.59301212  1.0
  Cu  Cu10  1  0.01226217  0.73461029  0.40698788  1.0
  Cu  Cu11  1  0.98773783  0.26538971  0.40698788  1.0
  P  P12  1  0.77956000  0.30490183  0.73594094  1.0
  P  P13  1  0.22044000  0.69509817  0.73594094  1.0
  P  P14  1  0.72044000  0.80490183  0.26405906  1.0
  P  P15  1  0.27956000  0.19509817  0.26405906  1.0
  P  P16  1  0.30490183  0.77956000  0.26405906  1.0
  P  P17  1  0.69509817  0.22044000  0.26405906  1.0
  P  P18  1  0.80490183  0.72044000  0.73594094  1.0
  P  P19  1  0.19509817  0.27956000  0.73594094  1.0
  O  O20  1  0.84836472  0.36294692  0.55847974  1.0
  O  O21  1  0.15163528  0.63705308  0.55847974  1.0
  O  O22  1  0.65163528  0.86294692  0.44152026  1.0
  O  O23  1  0.34836472  0.13705308  0.44152026  1.0
  O  O24  1  0.36294692  0.84836472  0.44152026  1.0
  O  O25  1  0.63705308  0.15163528  0.44152026  1.0
  O  O26  1  0.86294692  0.65163528  0.55847974  1.0
  O  O27  1  0.13705308  0.34836472  0.55847974  1.0
  O  O28  1  0.62575904  0.33537355  0.73463874  1.0
  O  O29  1  0.37424096  0.66462645  0.73463874  1.0
  O  O30  1  0.87424096  0.83537355  0.26536126  1.0
  O  O31  1  0.12575904  0.16462645  0.26536126  1.0
  O  O32  1  0.33537355  0.62575904  0.26536126  1.0
  O  O33  1  0.66462645  0.37424096  0.26536126  1.0
  O  O34  1  0.83537355  0.87424096  0.73463874  1.0
  O  O35  1  0.16462645  0.12575904  0.73463874  1.0
  O  O36  1  0.83738452  0.38617144  0.90471086  1.0
  O  O37  1  0.16261548  0.61382856  0.90471086  1.0
  O  O38  1  0.66261548  0.88617144  0.09528914  1.0
  O  O39  1  0.33738452  0.11382856  0.09528914  1.0
  O  O40  1  0.38617144  0.83738452  0.09528914  1.0
  O  O41  1  0.61382856  0.16261548  0.09528914  1.0
  O  O42  1  0.88617144  0.66261548  0.90471086  1.0
  O  O43  1  0.11382856  0.33738452  0.90471086  1.0
  O  O44  1  0.00000000  0.50000000  0.22122617  1.0
  O  O45  1  0.50000000  0.00000000  0.77877383  1.0
  O  O46  1  0.81774106  0.15363126  0.75630205  1.0
  O  O47  1  0.18225894  0.84636874  0.75630205  1.0
  O  O48  1  0.68225894  0.65363126  0.24369795  1.0
  O  O49  1  0.31774106  0.34636874  0.24369795  1.0
  O  O50  1  0.15363126  0.81774106  0.24369795  1.0
  O  O51  1  0.84636874  0.18225894  0.24369795  1.0
  O  O52  1  0.65363126  0.68225894  0.75630205  1.0
  O  O53  1  0.34636874  0.31774106  0.75630205  1.0