# generated using pymatgen
data_LiFe3SiPO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83156993
_cell_length_b   6.13225600
_cell_length_c   10.57031803
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.92884773
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe3SiPO8
_chemical_formula_sum   'Li2 Fe6 Si2 P2 O16'
_cell_volume   313.18161999
_cell_formula_units_Z   2
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  0.50000000  0.00000000  0.50000000  1
  Li  Li1  1  0.50000000  0.50000000  0.50000000  1
  Fe  Fe2  1  0.47795500  0.75000000  0.22329900  1
  Fe  Fe3  1  0.00767600  0.75000000  0.71535000  1
  Fe  Fe4  1  0.52204500  0.25000000  0.77670100  1
  Fe  Fe5  1  0.99232400  0.25000000  0.28465000  1
  Fe  Fe6  1  0.00000000  0.50000000  0.00000000  1
  Fe  Fe7  1  0.00000000  0.00000000  0.00000000  1
  Si  Si8  1  0.57110900  0.75000000  0.90253800  1
  Si  Si9  1  0.42889100  0.25000000  0.09746200  1
  P  P10  1  0.92311500  0.75000000  0.40449300  1
  P  P11  1  0.07688500  0.25000000  0.59550700  1
  O  O12  1  0.70837800  0.75000000  0.04712300  1
  O  O13  1  0.79632900  0.75000000  0.53971700  1
  O  O14  1  0.29162200  0.25000000  0.95287700  1
  O  O15  1  0.20367100  0.25000000  0.46028300  1
  O  O16  1  0.24268000  0.75000000  0.40491300  1
  O  O17  1  0.23167900  0.75000000  0.90485300  1
  O  O18  1  0.75732000  0.25000000  0.59508700  1
  O  O19  1  0.76832100  0.25000000  0.09514700  1
  O  O20  1  0.79479200  0.95237300  0.33441600  1
  O  O21  1  0.71372500  0.53687400  0.83299900  1
  O  O22  1  0.20520800  0.45237300  0.66558400  1
  O  O23  1  0.28627500  0.03687400  0.16700100  1
  O  O24  1  0.20520800  0.04762700  0.66558400  1
  O  O25  1  0.28627500  0.46312600  0.16700100  1
  O  O26  1  0.79479200  0.54762700  0.33441600  1
  O  O27  1  0.71372500  0.96312600  0.83299900  1
