# generated using pymatgen
data_KFe3H6(SO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.20566442
_cell_length_b   9.20566442
_cell_length_c   9.20566468
_cell_angle_alpha   56.66270115
_cell_angle_beta   56.66270115
_cell_angle_gamma   56.66269644
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KFe3H6(SO7)2
_chemical_formula_sum   'K1 Fe3 H6 S2 O14'
_cell_volume   509.11494425
_cell_formula_units_Z   1
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
  K  K0  1  0.00000000  0.00000000  0.00000000  1.0
  Fe  Fe1  1  0.00000000  0.50000000  0.00000000  1.0
  Fe  Fe2  1  0.50000000  0.00000000  0.00000000  1.0
  Fe  Fe3  1  0.00000000  0.00000000  0.50000000  1.0
  H  H4  1  0.05131200  0.47237000  0.47237000  1.0
  H  H5  1  0.47237000  0.47237000  0.05131200  1.0
  H  H6  1  0.47237000  0.05131200  0.47237000  1.0
  H  H7  1  0.52763000  0.94868800  0.52763000  1.0
  H  H8  1  0.94868800  0.52763000  0.52763000  1.0
  H  H9  1  0.52763000  0.52763000  0.94868800  1.0
  S  S10  1  0.35254500  0.35254500  0.35254500  1.0
  S  S11  1  0.64745500  0.64745500  0.64745500  1.0
  O  O12  1  0.41683300  0.41683300  0.41683300  1.0
  O  O13  1  0.58316700  0.58316700  0.58316700  1.0
  O  O14  1  0.47497700  0.12386400  0.12386400  1.0
  O  O15  1  0.12386400  0.12386400  0.47497700  1.0
  O  O16  1  0.12386400  0.47497700  0.12386400  1.0
  O  O17  1  0.87613600  0.52502300  0.87613600  1.0
  O  O18  1  0.52502300  0.87613600  0.87613600  1.0
  O  O19  1  0.87613600  0.87613600  0.52502300  1.0
  O  O20  1  0.66575100  0.03043000  0.03043000  1.0
  O  O21  1  0.03043000  0.03043000  0.66575100  1.0
  O  O22  1  0.03043000  0.66575100  0.03043000  1.0
  O  O23  1  0.96957000  0.33424900  0.96957000  1.0
  O  O24  1  0.33424900  0.96957000  0.96957000  1.0
  O  O25  1  0.96957000  0.96957000  0.33424900  1.0