# generated using pymatgen
data_Li2FeCSO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.14473777
_cell_length_b   8.14423473
_cell_length_c   9.86212840
_cell_angle_alpha   103.60407578
_cell_angle_beta   103.57295354
_cell_angle_gamma   104.57619037
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2FeCSO7
_chemical_formula_sum   'Li8 Fe4 C4 S4 O28'
_cell_volume   584.56090567
_cell_formula_units_Z   4
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  0.45149600  0.93532900  0.17342100  1
  Li  Li1  1  0.95145600  0.43560200  0.17414400  1
  Li  Li2  1  0.68513100  0.70175700  0.17432700  1
  Li  Li3  1  0.18468400  0.20124200  0.17272200  1
  Li  Li4  1  0.04832500  0.56471400  0.82631400  1
  Li  Li5  1  0.54853500  0.06457500  0.82599000  1
  Li  Li6  1  0.81460300  0.79819300  0.82554000  1
  Li  Li7  1  0.31501400  0.29871600  0.82706900  1
  Fe  Fe8  1  0.43621600  0.68645700  0.35482700  1
  Fe  Fe9  1  0.06362400  0.81361700  0.64514900  1
  Fe  Fe10  1  0.93656400  0.18648300  0.35421300  1
  Fe  Fe11  1  0.56358000  0.31335300  0.64603500  1
  C  C12  1  0.77605300  0.02601100  0.07285800  1
  C  C13  1  0.27609500  0.52640100  0.07356400  1
  C  C14  1  0.72388900  0.47404200  0.92721000  1
  C  C15  1  0.22378200  0.97366300  0.92631100  1
  S  S16  1  0.70648200  0.45613700  0.40920500  1
  S  S17  1  0.20635900  0.95672800  0.40869100  1
  S  S18  1  0.79358700  0.04386600  0.59090700  1
  S  S19  1  0.29383600  0.54319600  0.59130900  1
  O  O20  1  0.30471000  0.05467800  0.06327600  1
  O  O21  1  0.80479000  0.55532500  0.06410700  1
  O  O22  1  0.19507300  0.44541800  0.93658100  1
  O  O23  1  0.69513800  0.94477700  0.93592100  1
  O  O24  1  0.91824800  0.16826200  0.11977900  1
  O  O25  1  0.41840500  0.66843800  0.12055100  1
  O  O26  1  0.58175600  0.33174700  0.88033200  1
  O  O27  1  0.08152700  0.83156300  0.87931100  1
  O  O28  1  0.72090700  0.97124500  0.17507800  1
  O  O29  1  0.22087600  0.47129300  0.17561400  1
  O  O30  1  0.77897800  0.52878600  0.82494100  1
  O  O31  1  0.27902300  0.02877400  0.82426700  1
  O  O32  1  0.67212100  0.92197100  0.44612300  1
  O  O33  1  0.17243000  0.42195200  0.44630800  1
  O  O34  1  0.82794200  0.57809500  0.55398100  1
  O  O35  1  0.32765800  0.07799800  0.55368300  1
  O  O36  1  0.56737800  0.31546400  0.43167500  1
  O  O37  1  0.06595800  0.81673500  0.43062700  1
  O  O38  1  0.93279600  0.18447300  0.56848100  1
  O  O39  1  0.43455600  0.68282300  0.56930300  1
  O  O40  1  0.61907600  0.55410300  0.32035500  1
  O  O41  1  0.12031500  0.05547300  0.31979000  1
  O  O42  1  0.80537300  0.37043200  0.32016300  1
  O  O43  1  0.30504400  0.87016900  0.31998100  1
  O  O44  1  0.69479700  0.12962500  0.68001600  1
  O  O45  1  0.19539100  0.63017800  0.67997500  1
  O  O46  1  0.88086400  0.94581100  0.67973000  1
  O  O47  1  0.37955600  0.44430800  0.68024500  1
