# generated using pymatgen
data_LiFe(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.39709000
_cell_length_b   8.40534572
_cell_length_c   8.93003917
_cell_angle_alpha   62.28129779
_cell_angle_beta   62.42477044
_cell_angle_gamma   60.22302883
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe(SO4)2
_chemical_formula_sum   'Li3 Fe3 S6 O24'
_cell_volume   461.69915478
_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  0.35668600  0.35141000  0.93461400  1
  Li  Li1  1  0.17280600  0.76601300  0.62942300  1
  Li  Li2  1  0.76414200  0.43106400  0.62861500  1
  Fe  Fe3  1  0.16572900  0.15724900  0.53883000  1
  Fe  Fe4  1  0.64338700  0.64478500  0.07012800  1
  Fe  Fe5  1  0.84738400  0.85923000  0.44285400  1
  S  S6  1  0.04198300  0.46151500  0.75002700  1
  S  S7  1  0.45763500  0.75253000  0.74771600  1
  S  S8  1  0.75284800  0.04177500  0.74477500  1
  S  S9  1  0.25314700  0.95874800  0.24664400  1
  S  S10  1  0.54161200  0.25604600  0.24472300  1
  S  S11  1  0.95894000  0.54245600  0.24779800  1
  O  O12  1  0.10758500  0.51020700  0.08615000  1
  O  O13  1  0.29786300  0.10809000  0.08661000  1
  O  O14  1  0.00480100  0.33951500  0.69623700  1
  O  O15  1  0.51453000  0.29940000  0.08008400  1
  O  O16  1  0.02324100  0.65638500  0.60787000  1
  O  O17  1  0.23342000  0.37549200  0.76533100  1
  O  O18  1  0.36945300  0.63357600  0.75669000  1
  O  O19  1  0.33521800  0.95962800  0.69673000  1
  O  O20  1  0.64017500  0.23805500  0.75543500  1
  O  O21  1  0.04986000  0.97664400  0.29833700  1
  O  O22  1  0.27512000  0.96571900  0.40441800  1
  O  O23  1  0.35226500  0.28287100  0.39226000  1
  O  O24  1  0.65346000  0.71299700  0.60811400  1
  O  O25  1  0.72102500  0.02185600  0.60399600  1
  O  O26  1  0.96438500  0.00380700  0.69783200  1
  O  O27  1  0.38307900  0.76111300  0.23322800  1
  O  O28  1  0.67150000  0.05106700  0.29942700  1
  O  O29  1  0.62365200  0.38411300  0.23390900  1
  O  O30  1  0.76079400  0.62241700  0.23444900  1
  O  O31  1  0.96798700  0.35612500  0.40342900  1
  O  O32  1  0.48569100  0.70127100  0.91797500  1
  O  O33  1  0.97511000  0.67623400  0.30152500  1
  O  O34  1  0.70037300  0.89599100  0.91590700  1
  O  O35  1  0.88761800  0.49090600  0.91711000  1
