# generated using pymatgen
data_Li2FeH12(SO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.79557000
_cell_length_b   5.96759300
_cell_length_c   8.92982503
_cell_angle_alpha   78.25659415
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2FeH12(SO7)2
_chemical_formula_sum   'Li4 Fe2 H24 S4 O28'
_cell_volume   615.42386666
_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  0.38620300  0.69435600  0.13357100  1
  Li  Li1  1  0.88620300  0.30564400  0.36642900  1
  Li  Li2  1  0.11379700  0.69435600  0.63357100  1
  Li  Li3  1  0.61379700  0.30564400  0.86642900  1
  Fe  Fe4  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe5  1  0.50000000  0.00000000  0.50000000  1
  H  H6  1  0.06118800  0.35149000  0.09974400  1
  H  H7  1  0.84682300  0.64838100  0.03531100  1
  H  H8  1  0.40157800  0.07342400  0.21788500  1
  H  H9  1  0.64063700  0.09780700  0.25567800  1
  H  H10  1  0.30760300  0.98161100  0.34405200  1
  H  H11  1  0.10215600  0.66876500  0.20715000  1
  H  H12  1  0.60215600  0.33123500  0.29285000  1
  H  H13  1  0.80760300  0.01838900  0.15594800  1
  H  H14  1  0.14063700  0.90219300  0.24432200  1
  H  H15  1  0.90157800  0.92657600  0.28211500  1
  H  H16  1  0.34682300  0.35161900  0.46468900  1
  H  H17  1  0.56118800  0.64851000  0.40025600  1
  H  H18  1  0.43881200  0.35149000  0.59974400  1
  H  H19  1  0.65317700  0.64838100  0.53531100  1
  H  H20  1  0.09842200  0.07342400  0.71788500  1
  H  H21  1  0.85936300  0.09780700  0.75567800  1
  H  H22  1  0.19239700  0.98161100  0.84405200  1
  H  H23  1  0.39784400  0.66876500  0.70715000  1
  H  H24  1  0.89784400  0.33123500  0.79285000  1
  H  H25  1  0.69239700  0.01838900  0.65594800  1
  H  H26  1  0.35936300  0.90219300  0.74432200  1
  H  H27  1  0.59842200  0.92657600  0.78211500  1
  H  H28  1  0.15317700  0.35161900  0.96468900  1
  H  H29  1  0.93881200  0.64851000  0.90025600  1
  S  S30  1  0.62776900  0.72615000  0.08456100  1
  S  S31  1  0.12776900  0.27385000  0.41543900  1
  S  S32  1  0.87223100  0.72615000  0.58456100  1
  S  S33  1  0.37223100  0.27385000  0.91543900  1
  O  O34  1  0.07342400  0.30943300  0.99895900  1
  O  O35  1  0.43284300  0.26452100  0.06283600  1
  O  O36  1  0.88429700  0.05247900  0.19188600  1
  O  O37  1  0.72523600  0.56557900  0.09946500  1
  O  O38  1  0.66602300  0.96176000  0.09641000  1
  O  O39  1  0.13090500  0.82156600  0.15846000  1
  O  O40  1  0.04437200  0.36595700  0.28938600  1
  O  O41  1  0.54437200  0.63404300  0.21061400  1
  O  O42  1  0.63090500  0.17843400  0.34154000  1
  O  O43  1  0.16602300  0.03824000  0.40359000  1
  O  O44  1  0.22523600  0.43442100  0.40053500  1
  O  O45  1  0.38429700  0.94752100  0.30811400  1
  O  O46  1  0.42657600  0.30943300  0.49895900  1
  O  O47  1  0.06715700  0.26452100  0.56283600  1
  O  O48  1  0.93284300  0.73547900  0.43716400  1
  O  O49  1  0.57342400  0.69056700  0.50104100  1
  O  O50  1  0.61570300  0.05247900  0.69188600  1
  O  O51  1  0.77476400  0.56557900  0.59946500  1
  O  O52  1  0.83397700  0.96176000  0.59641000  1
  O  O53  1  0.36909500  0.82156600  0.65846000  1
  O  O54  1  0.45562800  0.36595700  0.78938600  1
  O  O55  1  0.95562800  0.63404300  0.71061400  1
  O  O56  1  0.86909500  0.17843400  0.84154000  1
  O  O57  1  0.33397700  0.03824000  0.90359000  1
  O  O58  1  0.27476400  0.43442100  0.90053500  1
  O  O59  1  0.11570300  0.94752100  0.80811400  1
  O  O60  1  0.56715700  0.73547900  0.93716400  1
  O  O61  1  0.92657600  0.69056700  0.00104100  1
