# generated using pymatgen
data_Ti3Fe(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.89232736
_cell_length_b   8.89232736
_cell_length_c   8.89232772
_cell_angle_alpha   58.38575386
_cell_angle_beta   58.38575386
_cell_angle_gamma   58.38575764
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Fe(PO4)6
_chemical_formula_sum   'Ti3 Fe1 P6 O24'
_cell_volume   478.82830553
_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  0.86062800  0.86062800  0.86062800  1.0
  Ti  Ti1  1  0.64062100  0.64062100  0.64062100  1.0
  Ti  Ti2  1  0.35940600  0.35940600  0.35940600  1.0
  Fe  Fe3  1  0.14317000  0.14317000  0.14317000  1.0
  P  P4  1  0.25159000  0.52974400  0.96798400  1.0
  P  P5  1  0.96798400  0.25159000  0.52974400  1.0
  P  P6  1  0.52974400  0.96798400  0.25159000  1.0
  P  P7  1  0.46451800  0.03140400  0.75459000  1.0
  P  P8  1  0.03140400  0.75459000  0.46451800  1.0
  P  P9  1  0.75459000  0.46451800  0.03140400  1.0
  O  O10  1  0.72047600  0.50082400  0.86019100  1.0
  O  O11  1  0.50082400  0.86019100  0.72047600  1.0
  O  O12  1  0.07632900  0.70754900  0.93988600  1.0
  O  O13  1  0.86019100  0.72047600  0.50082400  1.0
  O  O14  1  0.42421300  0.56597400  0.79002600  1.0
  O  O15  1  0.23464800  0.35876100  0.98633800  1.0
  O  O16  1  0.93988600  0.07632900  0.70754900  1.0
  O  O17  1  0.79002600  0.42421300  0.56597400  1.0
  O  O18  1  0.56597400  0.79002600  0.42421300  1.0
  O  O19  1  0.63629900  0.00083000  0.78329000  1.0
  O  O20  1  0.28699900  0.05113500  0.92720400  1.0
  O  O21  1  0.00083000  0.78329000  0.63629900  1.0
  O  O22  1  0.98633800  0.23464800  0.35876100  1.0
  O  O23  1  0.70754900  0.93988600  0.07632900  1.0
  O  O24  1  0.35876100  0.98633800  0.23464800  1.0
  O  O25  1  0.43468900  0.20994000  0.58083000  1.0
  O  O26  1  0.20994000  0.58083000  0.43468900  1.0
  O  O27  1  0.05113500  0.92720400  0.28699900  1.0
  O  O28  1  0.78329000  0.63629900  0.00083000  1.0
  O  O29  1  0.58083000  0.43468900  0.20994000  1.0
  O  O30  1  0.13932300  0.28016000  0.50043100  1.0
  O  O31  1  0.92720400  0.28699900  0.05113500  1.0
  O  O32  1  0.50043100  0.13932300  0.28016000  1.0
  O  O33  1  0.28016000  0.50043100  0.13932300  1.0