# generated using pymatgen
data_Li6TiFe3(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.57726400
_cell_length_b   8.63487104
_cell_length_c   8.64040026
_cell_angle_alpha   61.62246545
_cell_angle_beta   61.75471512
_cell_angle_gamma   61.59725202
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6TiFe3(PO4)6
_chemical_formula_sum   'Li6 Ti1 Fe3 P6 O24'
_cell_volume   469.32714510
_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  0.97289900  0.00011100  0.99175600  1
  Li  Li1  1  0.25327700  0.64296100  0.84664400  1
  Li  Li2  1  0.51991100  0.50298900  0.49200500  1
  Li  Li3  1  0.71808800  0.34743800  0.15224200  1
  Li  Li4  1  0.34581800  0.15469700  0.71178000  1
  Li  Li5  1  0.15463500  0.71791800  0.34596300  1
  Ti  Ti6  1  0.14888500  0.14935000  0.15040100  1
  Fe  Fe7  1  0.85364700  0.86107200  0.85251100  1
  Fe  Fe8  1  0.64594100  0.64618300  0.63567800  1
  Fe  Fe9  1  0.35166900  0.35118200  0.34961500  1
  P  P10  1  0.95001300  0.55625300  0.25251100  1
  P  P11  1  0.55446000  0.25426900  0.95036000  1
  P  P12  1  0.25207800  0.95224500  0.55296000  1
  P  P13  1  0.75610500  0.04111400  0.45455200  1
  P  P14  1  0.45212100  0.75532000  0.03575900  1
  P  P15  1  0.04373200  0.46033100  0.75701200  1
  O  O16  1  0.86891500  0.50143300  0.71692100  1
  O  O17  1  0.70607300  0.87834700  0.48336400  1
  O  O18  1  0.94165500  0.73567900  0.08223900  1
  O  O19  1  0.46162900  0.70973800  0.87774500  1
  O  O20  1  0.76034600  0.56033100  0.40882000  1
  O  O21  1  0.01048900  0.38271900  0.19375200  1
  O  O22  1  0.74100800  0.09658400  0.91829300  1
  O  O23  1  0.53461000  0.42353400  0.77137400  1
  O  O24  1  0.40734200  0.75940700  0.56082000  1
  O  O25  1  0.82168300  0.99791600  0.61064600  1
  O  O26  1  0.91492300  0.07192600  0.26001300  1
  O  O27  1  0.62101000  0.80846000  0.98247700  1
  O  O28  1  0.38277700  0.18931500  0.01551600  1
  O  O29  1  0.09581600  0.92255300  0.74362500  1
  O  O30  1  0.18887700  0.00868700  0.38487800  1
  O  O31  1  0.59537700  0.22991700  0.43847300  1
  O  O32  1  0.43841800  0.59653700  0.22485100  1
  O  O33  1  0.26236500  0.91919800  0.07074800  1
  O  O34  1  0.02503800  0.61505800  0.81209800  1
  O  O35  1  0.22918000  0.43482500  0.59497800  1
  O  O36  1  0.53788400  0.31019900  0.10211000  1
  O  O37  1  0.06778800  0.26731800  0.91826500  1
  O  O38  1  0.31332600  0.10197800  0.53096500  1
  O  O39  1  0.10019000  0.53391200  0.31628200  1
