# generated using pymatgen
data_NbFe3Cu2(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.65130373
_cell_length_b   8.65130389
_cell_length_c   8.65130419
_cell_angle_alpha   60.19655586
_cell_angle_beta   60.19655549
_cell_angle_gamma   60.19655225
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbFe3Cu2(PO4)6
_chemical_formula_sum   'Nb1 Fe3 Cu2 P6 O24'
_cell_volume   459.89468776
_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
  Nb  Nb0  1  0.85813500  0.85813500  0.85813500  1.0
  Fe  Fe1  1  0.14547200  0.14547200  0.14547200  1.0
  Fe  Fe2  1  0.35594800  0.35594800  0.35594800  1.0
  Fe  Fe3  1  0.64473300  0.64473300  0.64473300  1.0
  Cu  Cu4  1  0.00606600  0.00606600  0.00606600  1.0
  Cu  Cu5  1  0.50047200  0.50047200  0.50047200  1.0
  P  P6  1  0.04555400  0.74770800  0.45116900  1.0
  P  P7  1  0.45116900  0.04555400  0.74770800  1.0
  P  P8  1  0.74770800  0.45116900  0.04555400  1.0
  P  P9  1  0.25719500  0.53623200  0.95674700  1.0
  P  P10  1  0.53623200  0.95674700  0.25719500  1.0
  P  P11  1  0.95674700  0.25719500  0.53623200  1.0
  O  O12  1  0.11594900  0.30939100  0.50564500  1.0
  O  O13  1  0.30939100  0.50564500  0.11594900  1.0
  O  O14  1  0.05938400  0.91446400  0.26255400  1.0
  O  O15  1  0.50564500  0.11594900  0.30939100  1.0
  O  O16  1  0.99732000  0.80981300  0.61769000  1.0
  O  O17  1  0.23721100  0.58607100  0.44581600  1.0
  O  O18  1  0.26255400  0.05938400  0.91446400  1.0
  O  O19  1  0.44581600  0.23721100  0.58607100  1.0
  O  O20  1  0.19172500  0.38312100  0.99425800  1.0
  O  O21  1  0.58607100  0.44581600  0.23721100  1.0
  O  O22  1  0.08904900  0.73294400  0.93871900  1.0
  O  O23  1  0.38312100  0.99425800  0.19172500  1.0
  O  O24  1  0.61769000  0.99732000  0.80981300  1.0
  O  O25  1  0.91446400  0.26255400  0.05938400  1.0
  O  O26  1  0.41585500  0.55672700  0.76167800  1.0
  O  O27  1  0.80981300  0.61769000  0.99732000  1.0
  O  O28  1  0.55672700  0.76167800  0.41585500  1.0
  O  O29  1  0.73294400  0.93871900  0.08904900  1.0
  O  O30  1  0.76167800  0.41585500  0.55672700  1.0
  O  O31  1  0.99425800  0.19172500  0.38312100  1.0
  O  O32  1  0.49393100  0.88446500  0.69078900  1.0
  O  O33  1  0.93871900  0.08904900  0.73294400  1.0
  O  O34  1  0.69078900  0.49393100  0.88446500  1.0
  O  O35  1  0.88446500  0.69078900  0.49393100  1.0