# generated using pymatgen
data_LiFe(SeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.19981554
_cell_length_b   9.19981554
_cell_length_c   9.19981554
_cell_angle_alpha   107.74157546
_cell_angle_beta   107.74157546
_cell_angle_gamma   112.98881853
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe(SeO3)2
_chemical_formula_sum   'Li4 Fe4 Se8 O24'
_cell_volume   597.69269264
_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  0.12500000  0.43958500  0.81458500  1
  Li  Li1  1  0.56041500  0.37500000  0.68541500  1
  Li  Li2  1  0.62500000  0.31041500  0.18541500  1
  Li  Li3  1  0.68958500  0.87500000  0.31458500  1
  Fe  Fe4  1  0.41244400  0.87500000  0.03744400  1
  Fe  Fe5  1  0.62500000  0.58755600  0.46255600  1
  Fe  Fe6  1  0.12500000  0.16244400  0.53744400  1
  Fe  Fe7  1  0.83755600  0.37500000  0.96255600  1
  Se  Se8  1  0.93272900  0.71305300  0.32898600  1
  Se  Se9  1  0.96305300  0.68272900  0.82898600  1
  Se  Se10  1  0.39625800  0.06727100  0.78032500  1
  Se  Se11  1  0.86593300  0.03694700  0.71967500  1
  Se  Se12  1  0.28694700  0.61593300  0.21967500  1
  Se  Se13  1  0.85374200  0.13406700  0.17101400  1
  Se  Se14  1  0.38406700  0.60374200  0.67101400  1
  Se  Se15  1  0.31727100  0.14625800  0.28032500  1
  O  O16  1  0.82485600  0.46146500  0.77967700  1
  O  O17  1  0.32220300  0.16351500  0.47650300  1
  O  O18  1  0.04108800  0.24947500  0.37236800  1
  O  O19  1  0.53853500  0.31821200  0.36339100  1
  O  O20  1  0.41351500  0.07220300  0.97650300  1
  O  O21  1  0.09570000  0.43701200  0.02349700  1
  O  O22  1  0.56298800  0.58648500  0.65868800  1
  O  O23  1  0.75052500  0.12289200  0.79161200  1
  O  O24  1  0.15430000  0.67779700  0.84131200  1
  O  O25  1  0.83648500  0.31298800  0.15868800  1
  O  O26  1  0.42514400  0.70482100  0.13660900  1
  O  O27  1  0.56821200  0.28853500  0.86339100  1
  O  O28  1  0.33128000  0.95891200  0.20838800  1
  O  O29  1  0.37289200  0.50052500  0.29161200  1
  O  O30  1  0.49947500  0.79108800  0.87236800  1
  O  O31  1  0.92779700  0.90430000  0.34131200  1
  O  O32  1  0.68701200  0.84570000  0.52349700  1
  O  O33  1  0.91872000  0.62710800  0.12763200  1
  O  O34  1  0.87710800  0.66872000  0.62763200  1
  O  O35  1  0.68178800  0.04517900  0.22032300  1
  O  O36  1  0.20891200  0.08128000  0.70838800  1
  O  O37  1  0.71146500  0.57485600  0.27967700  1
  O  O38  1  0.95482100  0.17514400  0.63660900  1
  O  O39  1  0.29517900  0.43178800  0.72032300  1
