# generated using pymatgen
data_LiFe2(SO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.81743000
_cell_length_b   8.52956900
_cell_length_c   14.69161559
_cell_angle_alpha   55.57225103
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(SO4)3
_chemical_formula_sum   'Li4 Fe8 S12 O48'
_cell_volume   911.39840144
_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  0.77908700  0.98670000  0.31987600  1
  Li  Li1  1  0.27908700  0.01330000  0.18012400  1
  Li  Li2  1  0.72091300  0.98670000  0.81987600  1
  Li  Li3  1  0.22091300  0.01330000  0.68012400  1
  Fe  Fe4  1  0.53429100  0.37000400  0.88389500  1
  Fe  Fe5  1  0.96315200  0.14578500  0.10752500  1
  Fe  Fe6  1  0.03429100  0.62999600  0.61610500  1
  Fe  Fe7  1  0.46315200  0.85421500  0.39247500  1
  Fe  Fe8  1  0.53684800  0.14578500  0.60752500  1
  Fe  Fe9  1  0.96570900  0.37000400  0.38389500  1
  Fe  Fe10  1  0.03684800  0.85421500  0.89247500  1
  Fe  Fe11  1  0.46570900  0.62999600  0.11610500  1
  S  S12  1  0.25398300  0.45406600  0.00733600  1
  S  S13  1  0.37945800  0.74254300  0.65310200  1
  S  S14  1  0.10757400  0.03700200  0.35514600  1
  S  S15  1  0.60757400  0.96299800  0.14485400  1
  S  S16  1  0.87945800  0.25745700  0.84689800  1
  S  S17  1  0.75398300  0.54593400  0.49266400  1
  S  S18  1  0.24601700  0.45406600  0.50733600  1
  S  S19  1  0.12054200  0.74254300  0.15310200  1
  S  S20  1  0.39242600  0.03700200  0.85514600  1
  S  S21  1  0.89242600  0.96299800  0.64485400  1
  S  S22  1  0.62054200  0.25745700  0.34689800  1
  S  S23  1  0.74601700  0.54593400  0.99266400  1
  O  O24  1  0.86193000  0.40383700  0.05864900  1
  O  O25  1  0.88472200  0.81316100  0.62277700  1
  O  O26  1  0.59136300  0.11548900  0.32066200  1
  O  O27  1  0.68507100  0.52730300  0.90419500  1
  O  O28  1  0.37836900  0.47527900  0.93284900  1
  O  O29  1  0.21236900  0.70044800  0.67302700  1
  O  O30  1  0.41696500  0.82116500  0.53788400  1
  O  O31  1  0.98580300  0.08445400  0.27189500  1
  O  O32  1  0.19073000  0.25779700  0.06375600  1
  O  O33  1  0.25525200  0.02156900  0.31284400  1
  O  O34  1  0.06759300  0.85149900  0.45704200  1
  O  O35  1  0.47240900  0.56960400  0.72573600  1
  O  O36  1  0.97240900  0.43039600  0.77426400  1
  O  O37  1  0.56759300  0.14850100  0.04295800  1
  O  O38  1  0.75525200  0.97843100  0.18715600  1
  O  O39  1  0.69073000  0.74220300  0.43624400  1
  O  O40  1  0.91696500  0.17883500  0.96211600  1
  O  O41  1  0.48580300  0.91554600  0.22810500  1
  O  O42  1  0.71236900  0.29955200  0.82697300  1
  O  O43  1  0.87836900  0.52472100  0.56715100  1
  O  O44  1  0.18507100  0.47269700  0.59580500  1
  O  O45  1  0.38472200  0.18683900  0.87722300  1
  O  O46  1  0.09136300  0.88451100  0.17933800  1
  O  O47  1  0.36193000  0.59616300  0.44135100  1
  O  O48  1  0.63807000  0.40383700  0.55864900  1
  O  O49  1  0.90863700  0.11548900  0.82066200  1
  O  O50  1  0.61527800  0.81316100  0.12277700  1
  O  O51  1  0.81492900  0.52730300  0.40419500  1
  O  O52  1  0.12163100  0.47527900  0.43284900  1
  O  O53  1  0.28763100  0.70044800  0.17302700  1
  O  O54  1  0.51419700  0.08445400  0.77189500  1
  O  O55  1  0.08303500  0.82116500  0.03788400  1
  O  O56  1  0.30927000  0.25779700  0.56375600  1
  O  O57  1  0.24474800  0.02156900  0.81284400  1
  O  O58  1  0.43240700  0.85149900  0.95704200  1
  O  O59  1  0.02759100  0.56960400  0.22573600  1
  O  O60  1  0.52759100  0.43039600  0.27426400  1
  O  O61  1  0.93240700  0.14850100  0.54295800  1
  O  O62  1  0.74474800  0.97843100  0.68715600  1
  O  O63  1  0.80927000  0.74220300  0.93624400  1
  O  O64  1  0.01419700  0.91554600  0.72810500  1
  O  O65  1  0.58303500  0.17883500  0.46211600  1
  O  O66  1  0.78763100  0.29955200  0.32697300  1
  O  O67  1  0.62163100  0.52472100  0.06715100  1
  O  O68  1  0.31492900  0.47269700  0.09580500  1
  O  O69  1  0.40863700  0.88451100  0.67933800  1
  O  O70  1  0.11527800  0.18683900  0.37722300  1
  O  O71  1  0.13807000  0.59616300  0.94135100  1
