# generated using pymatgen
data_LiFe(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.36662100
_cell_length_b   8.38318144
_cell_length_c   8.94306819
_cell_angle_alpha   62.43740398
_cell_angle_beta   62.46798619
_cell_angle_gamma   60.15533161
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe(SO4)2
_chemical_formula_sum   'Li3 Fe3 S6 O24'
_cell_volume   459.84841067
_cell_formula_units_Z   3
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  0.16685300  0.15639500  0.54398700  1
  Li  Li1  1  0.17946400  0.77792400  0.62891300  1
  Li  Li2  1  0.77890800  0.41315300  0.62819600  1
  Fe  Fe3  1  0.35466300  0.34749500  0.94353200  1
  Fe  Fe4  1  0.64309900  0.64263500  0.06901400  1
  Fe  Fe5  1  0.84686000  0.85908800  0.44086100  1
  S  S6  1  0.03685000  0.46799100  0.75089200  1
  S  S7  1  0.46373500  0.74804800  0.74961000  1
  S  S8  1  0.74982200  0.03325300  0.74811200  1
  S  S9  1  0.25244600  0.95392100  0.25159300  1
  S  S10  1  0.53487000  0.25584900  0.25221100  1
  S  S11  1  0.95527100  0.54138800  0.25150400  1
  O  O12  1  0.10994900  0.50709200  0.08539200  1
  O  O13  1  0.29854500  0.10826900  0.08622800  1
  O  O14  1  0.00356600  0.34737400  0.70021700  1
  O  O15  1  0.51353600  0.29821600  0.07793100  1
  O  O16  1  0.02797600  0.66172400  0.60905100  1
  O  O17  1  0.23185700  0.37937100  0.77356600  1
  O  O18  1  0.37724000  0.61556800  0.76605700  1
  O  O19  1  0.33820100  0.94578800  0.70037600  1
  O  O20  1  0.62826100  0.23524900  0.76352400  1
  O  O21  1  0.04899900  0.97971700  0.28925700  1
  O  O22  1  0.27638300  0.96048500  0.40081700  1
  O  O23  1  0.35188700  0.28478800  0.38918200  1
  O  O24  1  0.65973800  0.70244400  0.60933600  1
  O  O25  1  0.71314300  0.02120700  0.60569400  1
  O  O26  1  0.95338300  0.00074100  0.70423500  1
  O  O27  1  0.38180000  0.76305900  0.22161400  1
  O  O28  1  0.67437900  0.05140800  0.29267300  1
  O  O29  1  0.62843800  0.38330100  0.22449100  1
  O  O30  1  0.76334600  0.63364400  0.22141000  1
  O  O31  1  0.96169100  0.36228300  0.39942300  1
  O  O32  1  0.49464300  0.68794300  0.92031500  1
  O  O33  1  0.97849200  0.68081000  0.29285600  1
  O  O34  1  0.68480500  0.89682000  0.91948700  1
  O  O35  1  0.89030000  0.50075900  0.91964100  1
