# generated using pymatgen
data_Ti3NbFe2(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.61995836
_cell_length_b   8.61995847
_cell_length_c   8.61995805
_cell_angle_alpha   61.27424429
_cell_angle_beta   61.27423307
_cell_angle_gamma   61.27423399
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3NbFe2(PO4)6
_chemical_formula_sum   'Ti3 Nb1 Fe2 P6 O24'
_cell_volume   465.87285416
_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
  Ti  Ti0  1  0.14407600  0.14407600  0.14407600  1.0
  Ti  Ti1  1  0.35615200  0.35615200  0.35615200  1.0
  Ti  Ti2  1  0.64402500  0.64402500  0.64402500  1.0
  Nb  Nb3  1  0.85718200  0.85718200  0.85718200  1.0
  Fe  Fe4  1  0.00257500  0.00257500  0.00257500  1.0
  Fe  Fe5  1  0.49988600  0.49988600  0.49988600  1.0
  P  P6  1  0.04584800  0.74857500  0.45183600  1.0
  P  P7  1  0.45183600  0.04584800  0.74857500  1.0
  P  P8  1  0.25505400  0.53883300  0.95662000  1.0
  P  P9  1  0.53883300  0.95662000  0.25505400  1.0
  P  P10  1  0.95662000  0.25505400  0.53883300  1.0
  P  P11  1  0.74857500  0.45183600  0.04584800  1.0
  O  O12  1  0.11479400  0.31816500  0.49873700  1.0
  O  O13  1  0.31816500  0.49873700  0.11479400  1.0
  O  O14  1  0.05970700  0.90824100  0.25977000  1.0
  O  O15  1  0.49873700  0.11479400  0.31816500  1.0
  O  O16  1  0.00824300  0.81485000  0.60840500  1.0
  O  O17  1  0.23893700  0.59047100  0.43898000  1.0
  O  O18  1  0.25977000  0.05970700  0.90824100  1.0
  O  O19  1  0.43898000  0.23893700  0.59047100  1.0
  O  O20  1  0.18689100  0.38364700  0.99731500  1.0
  O  O21  1  0.59047100  0.43898000  0.23893700  1.0
  O  O22  1  0.09614400  0.73451700  0.94269800  1.0
  O  O23  1  0.38364700  0.99731500  0.18689100  1.0
  O  O24  1  0.60840500  0.00824300  0.81485000  1.0
  O  O25  1  0.90824100  0.25977000  0.05970700  1.0
  O  O26  1  0.41184100  0.55531000  0.76250100  1.0
  O  O27  1  0.81485000  0.60840500  0.00824300  1.0
  O  O28  1  0.55531000  0.76250100  0.41184100  1.0
  O  O29  1  0.73451700  0.94269800  0.09614400  1.0
  O  O30  1  0.76250100  0.41184100  0.55531000  1.0
  O  O31  1  0.99731500  0.18689100  0.38364700  1.0
  O  O32  1  0.49825500  0.88467200  0.68624500  1.0
  O  O33  1  0.94269800  0.09614400  0.73451700  1.0
  O  O34  1  0.68624500  0.49825500  0.88467200  1.0
  O  O35  1  0.88467200  0.68624500  0.49825500  1.0