# generated using pymatgen
data_Li7TiFe3(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.87568715
_cell_length_b   8.87568715
_cell_length_c   8.87568718
_cell_angle_alpha   59.58656024
_cell_angle_beta   59.58656024
_cell_angle_gamma   59.58655952
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li7TiFe3(PO4)6
_chemical_formula_sum   'Li7 Ti1 Fe3 P6 O24'
_cell_volume   489.76783239
_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  0.93214600  0.74805700  0.20141400  1
  Li  Li1  1  0.74805700  0.20141400  0.93214600  1
  Li  Li2  1  0.53125300  0.53125300  0.53125300  1
  Li  Li3  1  0.20141400  0.93214600  0.74805700  1
  Li  Li4  1  0.72708500  0.21796800  0.38883700  1
  Li  Li5  1  0.38883700  0.72708500  0.21796800  1
  Li  Li6  1  0.21796800  0.38883700  0.72708500  1
  Ti  Ti7  1  0.14530400  0.14530400  0.14530400  1
  Fe  Fe8  1  0.64735200  0.64735200  0.64735200  1
  Fe  Fe9  1  0.85344000  0.85344000  0.85344000  1
  Fe  Fe10  1  0.35366200  0.35366200  0.35366200  1
  P  P11  1  0.95779600  0.24843300  0.54554300  1
  P  P12  1  0.54554300  0.95779600  0.24843300  1
  P  P13  1  0.24843300  0.54554300  0.95779600  1
  P  P14  1  0.75165500  0.45928400  0.04438900  1
  P  P15  1  0.45928400  0.04438900  0.75165500  1
  P  P16  1  0.04438900  0.75165500  0.45928400  1
  O  O17  1  0.93343300  0.08091500  0.73257100  1
  O  O18  1  0.99663600  0.19329400  0.38242500  1
  O  O19  1  0.77343800  0.41146900  0.55879700  1
  O  O20  1  0.52404600  0.12101500  0.28054700  1
  O  O21  1  0.73257100  0.93343300  0.08091500  1
  O  O22  1  0.55879700  0.77343800  0.41146900  1
  O  O23  1  0.28054700  0.52404600  0.12101500  1
  O  O24  1  0.41146900  0.55879700  0.77343800  1
  O  O25  1  0.80627500  0.62069500  0.99175600  1
  O  O26  1  0.90617000  0.26765400  0.10083800  1
  O  O27  1  0.12101500  0.28054700  0.52404600  1
  O  O28  1  0.62069500  0.99175600  0.80627500  1
  O  O29  1  0.38242500  0.99663600  0.19329400  1
  O  O30  1  0.88861100  0.72327700  0.45773200  1
  O  O31  1  0.08091500  0.73257100  0.93343300  1
  O  O32  1  0.19329400  0.38242500  0.99663600  1
  O  O33  1  0.58124000  0.46108500  0.22617000  1
  O  O34  1  0.72327700  0.45773200  0.88861100  1
  O  O35  1  0.46108500  0.22617000  0.58124000  1
  O  O36  1  0.26765400  0.10083800  0.90617000  1
  O  O37  1  0.45773200  0.88861100  0.72327700  1
  O  O38  1  0.99175600  0.80627500  0.62069500  1
  O  O39  1  0.22617000  0.58124000  0.46108500  1
  O  O40  1  0.10083800  0.90617000  0.26765400  1
