# generated using pymatgen
data_Li3Ti3Fe(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.66970267
_cell_length_b   8.73841003
_cell_length_c   8.71480708
_cell_angle_alpha   60.02468568
_cell_angle_beta   60.07109626
_cell_angle_gamma   60.44016181
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Ti3Fe(PO4)6
_chemical_formula_sum   'Li3 Ti3 Fe1 P6 O24'
_cell_volume   468.72622759
_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
  Li  Li0  1  0.26927000  0.87358800  0.66357800  1
  Li  Li1  1  0.78705500  0.20055700  0.93496600  1
  Li  Li2  1  0.94352300  0.78011200  0.19901100  1
  Ti  Ti3  1  0.13969000  0.14551500  0.13925900  1
  Ti  Ti4  1  0.36289400  0.36748100  0.36851400  1
  Ti  Ti5  1  0.85215800  0.85629500  0.85612100  1
  Fe  Fe6  1  0.64118300  0.63544700  0.64143700  1
  P  P7  1  0.04170200  0.75163600  0.46335400  1
  P  P8  1  0.45495500  0.03833700  0.75122400  1
  P  P9  1  0.74587800  0.46190400  0.04389800  1
  P  P10  1  0.24306800  0.54157200  0.97285500  1
  P  P11  1  0.53334300  0.97831100  0.24857700  1
  P  P12  1  0.96689100  0.25025500  0.53561200  1
  O  O13  1  0.14128000  0.28334000  0.50364500  1
  O  O14  1  0.28140900  0.51321400  0.14075200  1
  O  O15  1  0.07041100  0.91372300  0.27474600  1
  O  O16  1  0.50989800  0.15045700  0.27587300  1
  O  O17  1  0.00854500  0.79923700  0.62943500  1
  O  O18  1  0.21976500  0.57999400  0.45095800  1
  O  O19  1  0.27490600  0.07504000  0.91785000  1
  O  O20  1  0.44707100  0.21987600  0.58092500  1
  O  O21  1  0.18996200  0.37900300  0.01115600  1
  O  O22  1  0.57769600  0.45215200  0.22701500  1
  O  O23  1  0.07204200  0.72961500  0.95146100  1
  O  O24  1  0.37400000  0.01690600  0.19036700  1
  O  O25  1  0.63194500  0.98700900  0.79615800  1
  O  O26  1  0.90908700  0.27469200  0.07002700  1
  O  O27  1  0.40041400  0.57582300  0.78210100  1
  O  O28  1  0.80016300  0.62917700  0.99563700  1
  O  O29  1  0.53920100  0.80196200  0.42321300  1
  O  O30  1  0.72918100  0.94667600  0.08468600  1
  O  O31  1  0.78568400  0.41572400  0.56003800  1
  O  O32  1  0.00241300  0.19429300  0.37688100  1
  O  O33  1  0.46990800  0.87808800  0.71295900  1
  O  O34  1  0.94333900  0.08144100  0.72740100  1
  O  O35  1  0.70238800  0.48121500  0.88234400  1
  O  O36  1  0.87268200  0.71533400  0.48696600  1
