# generated using pymatgen
data_Li2ScFe(SiO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.66562109
_cell_length_b   6.66562109
_cell_length_c   5.39140749
_cell_angle_alpha   74.81428911
_cell_angle_beta   74.81428911
_cell_angle_gamma   84.00467120
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2ScFe(SiO3)4
_chemical_formula_sum   'Li2 Sc1 Fe1 Si4 O12'
_cell_volume   222.94107741
_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
  Li  Li0  1  0.25349700  0.74650300  0.50000000  1
  Li  Li1  1  0.75173600  0.24826400  0.00000000  1
  Sc  Sc2  1  0.89712400  0.10287600  0.50000000  1
  Fe  Fe3  1  0.10767000  0.89233000  0.00000000  1
  Si  Si4  1  0.79116600  0.61671000  0.52135200  1
  Si  Si5  1  0.61382100  0.79239700  0.02541100  1
  Si  Si6  1  0.38329000  0.20883400  0.47864800  1
  Si  Si7  1  0.20760300  0.38617900  0.97458900  1
  O  O8  1  0.97066600  0.79436500  0.39582400  1
  O  O9  1  0.79691500  0.96584000  0.91182900  1
  O  O10  1  0.88062200  0.37936700  0.58806500  1
  O  O11  1  0.64451100  0.64551300  0.31080900  1
  O  O12  1  0.37466700  0.88208900  0.08813300  1
  O  O13  1  0.64737600  0.65349200  0.80561000  1
  O  O14  1  0.35448700  0.35548900  0.68919100  1
  O  O15  1  0.62063300  0.11937800  0.41193500  1
  O  O16  1  0.34650800  0.35262400  0.19439000  1
  O  O17  1  0.11791100  0.62533300  0.91186700  1
  O  O18  1  0.20563500  0.02933400  0.60417600  1
  O  O19  1  0.03416000  0.20308600  0.08817100  1
