# generated using pymatgen
data_TiFe3(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.93821034
_cell_length_b   8.93821034
_cell_length_c   8.93821024
_cell_angle_alpha   58.54704875
_cell_angle_beta   58.54704875
_cell_angle_gamma   58.54704911
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiFe3(PO4)6
_chemical_formula_sum   'Ti1 Fe3 P6 O24'
_cell_volume   488.15804605
_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  0.14013000  0.14013000  0.14013000  1.0
  Fe  Fe1  1  0.85697600  0.85697600  0.85697600  1.0
  Fe  Fe2  1  0.64190200  0.64190200  0.64190200  1.0
  Fe  Fe3  1  0.35743000  0.35743000  0.35743000  1.0
  P  P4  1  0.24922200  0.53420100  0.96643400  1.0
  P  P5  1  0.96643400  0.24922200  0.53420100  1.0
  P  P6  1  0.53420100  0.96643400  0.24922200  1.0
  P  P7  1  0.46765500  0.03447700  0.74749600  1.0
  P  P8  1  0.03447700  0.74749600  0.46765500  1.0
  P  P9  1  0.74749600  0.46765500  0.03447700  1.0
  O  O10  1  0.72783900  0.48902600  0.86305500  1.0
  O  O11  1  0.48902600  0.86305500  0.72783900  1.0
  O  O12  1  0.07906700  0.71130000  0.93746900  1.0
  O  O13  1  0.86305500  0.72783900  0.48902600  1.0
  O  O14  1  0.42265400  0.55287200  0.79065600  1.0
  O  O15  1  0.21303700  0.36317400  0.00633000  1.0
  O  O16  1  0.93746900  0.07906700  0.71130000  1.0
  O  O17  1  0.79065600  0.42265400  0.55287200  1.0
  O  O18  1  0.55287200  0.79065600  0.42265400  1.0
  O  O19  1  0.63896200  0.00741900  0.77162500  1.0
  O  O20  1  0.29204900  0.06938900  0.92095900  1.0
  O  O21  1  0.00741900  0.77162500  0.63896200  1.0
  O  O22  1  0.00633000  0.21303700  0.36317400  1.0
  O  O23  1  0.71130000  0.93746900  0.07906700  1.0
  O  O24  1  0.36317400  0.00633000  0.21303700  1.0
  O  O25  1  0.44243800  0.20909200  0.57554200  1.0
  O  O26  1  0.20909200  0.57554200  0.44243800  1.0
  O  O27  1  0.06938900  0.92095900  0.29204900  1.0
  O  O28  1  0.77162500  0.63896200  0.00741900  1.0
  O  O29  1  0.57554200  0.44243800  0.20909200  1.0
  O  O30  1  0.13670000  0.27466700  0.50875700  1.0
  O  O31  1  0.92095900  0.29204900  0.06938900  1.0
  O  O32  1  0.50875700  0.13670000  0.27466700  1.0
  O  O33  1  0.27466700  0.50875700  0.13670000  1.0