# generated using pymatgen
data_Li4ScFe3(SiO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.85430900
_cell_length_b   5.37453700
_cell_length_c   9.43599849
_cell_angle_alpha   78.15012500
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4ScFe3(SiO3)8
_chemical_formula_sum   'Li4 Sc1 Fe3 Si8 O24'
_cell_volume   439.46905955
_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  0.75880500  0.50000000  0.50000000  1
  Li  Li1  1  0.25714500  0.00000000  0.00000000  1
  Li  Li2  1  0.24147800  0.00000000  0.50000000  1
  Li  Li3  1  0.74304100  0.50000000  0.00000000  1
  Sc  Sc4  1  0.39797000  0.50000000  0.50000000  1
  Fe  Fe5  1  0.89702800  0.00000000  0.00000000  1
  Fe  Fe6  1  0.60532700  0.00000000  0.50000000  1
  Fe  Fe7  1  0.10305700  0.50000000  0.00000000  1
  Si  Si8  1  0.08628100  0.72201400  0.29415900  1
  Si  Si9  1  0.59010800  0.21851500  0.79739400  1
  Si  Si10  1  0.08628100  0.27798600  0.70584100  1
  Si  Si11  1  0.59010800  0.78148500  0.20260600  1
  Si  Si12  1  0.91058700  0.77931700  0.70437200  1
  Si  Si13  1  0.41138700  0.27824800  0.20245000  1
  Si  Si14  1  0.91058700  0.22068300  0.29562800  1
  Si  Si15  1  0.41138700  0.72175200  0.79755000  1
  O  O16  1  0.25227900  0.71500500  0.36564300  1
  O  O17  1  0.75575600  0.21043000  0.87014200  1
  O  O18  1  0.25227900  0.28499500  0.63435700  1
  O  O19  1  0.75575600  0.78957000  0.12985800  1
  O  O20  1  0.74482100  0.78825400  0.63084900  1
  O  O21  1  0.24494700  0.29015500  0.13028500  1
  O  O22  1  0.74482100  0.21174600  0.36915100  1
  O  O23  1  0.24494700  0.70984500  0.86971500  1
  O  O24  1  0.99903500  0.45031200  0.35375300  1
  O  O25  1  0.49988200  0.94989400  0.85649000  1
  O  O26  1  0.99903500  0.54968800  0.64624700  1
  O  O27  1  0.49988200  0.05010600  0.14351000  1
  O  O28  1  0.99876000  0.04983900  0.64593400  1
  O  O29  1  0.50064700  0.54992000  0.14665000  1
  O  O30  1  0.99876000  0.95016100  0.35406600  1
  O  O31  1  0.50064700  0.45008000  0.85335000  1
  O  O32  1  0.08297000  0.78290000  0.11498800  1
  O  O33  1  0.58874600  0.27796300  0.61820600  1
  O  O34  1  0.08297000  0.21710000  0.88501200  1
  O  O35  1  0.58874600  0.72203700  0.38179400  1
  O  O36  1  0.91553200  0.71747100  0.88363000  1
  O  O37  1  0.41633700  0.20857400  0.38134100  1
  O  O38  1  0.91553200  0.28252900  0.11637000  1
  O  O39  1  0.41633700  0.79142600  0.61865900  1
