# generated using pymatgen
data_LiSc4(FeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12678458
_cell_length_b   5.44360320
_cell_length_c   8.04653984
_cell_angle_alpha   90.16735254
_cell_angle_beta   91.99021394
_cell_angle_gamma   88.80830664
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSc4(FeO3)4
_chemical_formula_sum   'Li1 Sc4 Fe4 O12'
_cell_volume   224.37974143
_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  0.37271100  0.19894000  0.14493700  1
  Sc  Sc1  1  0.04033900  0.93751700  0.74526200  1
  Sc  Sc2  1  0.46543600  0.43679100  0.75675200  1
  Sc  Sc3  1  0.53772900  0.60411100  0.24880800  1
  Sc  Sc4  1  0.93627400  0.06792900  0.25658600  1
  Fe  Fe5  1  0.99005400  0.49246300  0.99470800  1
  Fe  Fe6  1  0.00613700  0.50451900  0.49374500  1
  Fe  Fe7  1  0.54458400  0.95663500  0.94469000  1
  Fe  Fe8  1  0.49233200  0.01229300  0.50340100  1
  O  O9  1  0.16102600  0.42667600  0.25374500  1
  O  O10  1  0.19521500  0.21347800  0.58792400  1
  O  O11  1  0.19470900  0.18110600  0.92408800  1
  O  O12  1  0.29813100  0.70929500  0.59392000  1
  O  O13  1  0.30298000  0.67292300  0.93085900  1
  O  O14  1  0.32303100  0.93221900  0.28044000  1
  O  O15  1  0.66999000  0.09162500  0.72638700  1
  O  O16  1  0.69488900  0.30267500  0.07605100  1
  O  O17  1  0.69387600  0.31188800  0.40955300  1
  O  O18  1  0.80728500  0.79265900  0.09510300  1
  O  O19  1  0.79675800  0.80622400  0.42458400  1
  O  O20  1  0.83901500  0.58553300  0.75846000  1
