# generated using pymatgen
data_NbFe3(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.97433240
_cell_length_b   8.97433240
_cell_length_c   8.97433282
_cell_angle_alpha   58.55273934
_cell_angle_beta   58.55273934
_cell_angle_gamma   58.55274425
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbFe3(PO4)6
_chemical_formula_sum   'Nb1 Fe3 P6 O24'
_cell_volume   494.16748963
_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  0.85960200  0.85960200  0.85960200  1.0
  Fe  Fe1  1  0.14276200  0.14276200  0.14276200  1.0
  Fe  Fe2  1  0.35798600  0.35798600  0.35798600  1.0
  Fe  Fe3  1  0.64322200  0.64322200  0.64322200  1.0
  P  P4  1  0.74992300  0.03550600  0.46254500  1.0
  P  P5  1  0.03550600  0.46254500  0.74992300  1.0
  P  P6  1  0.46254500  0.74992300  0.03550600  1.0
  P  P7  1  0.52819800  0.25775100  0.96594900  1.0
  P  P8  1  0.96594900  0.52819800  0.25775100  1.0
  P  P9  1  0.25775100  0.96594900  0.52819800  1.0
  O  O10  1  0.27598500  0.13639000  0.50845300  1.0
  O  O11  1  0.50845300  0.27598500  0.13639000  1.0
  O  O12  1  0.91940800  0.06467900  0.28611200  1.0
  O  O13  1  0.13639000  0.50845300  0.27598500  1.0
  O  O14  1  0.57734700  0.20990900  0.44454200  1.0
  O  O15  1  0.78433500  0.99760800  0.63436000  1.0
  O  O16  1  0.06467900  0.28611200  0.91940800  1.0
  O  O17  1  0.20990900  0.44454200  0.57734700  1.0
  O  O18  1  0.44454200  0.57734700  0.20990900  1.0
  O  O19  1  0.35971400  0.22932500  0.99378600  1.0
  O  O20  1  0.70560200  0.08322400  0.93238100  1.0
  O  O21  1  0.99378600  0.35971400  0.22932500  1.0
  O  O22  1  0.99760800  0.63436000  0.78433500  1.0
  O  O23  1  0.28611200  0.91940800  0.06467900  1.0
  O  O24  1  0.63436000  0.78433500  0.99760800  1.0
  O  O25  1  0.55494600  0.42775100  0.79131200  1.0
  O  O26  1  0.79131200  0.55494600  0.42775100  1.0
  O  O27  1  0.93238100  0.70560200  0.08322400  1.0
  O  O28  1  0.22932500  0.99378600  0.35971400  1.0
  O  O29  1  0.42775100  0.79131200  0.55494600  1.0
  O  O30  1  0.86487100  0.48923300  0.72528200  1.0
  O  O31  1  0.08322400  0.93238100  0.70560200  1.0
  O  O32  1  0.48923300  0.72528200  0.86487100  1.0
  O  O33  1  0.72528200  0.86487100  0.48923300  1.0