# generated using pymatgen
data_LiSc4(FeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12081684
_cell_length_b   5.51377616
_cell_length_c   7.89559818
_cell_angle_alpha   89.57339316
_cell_angle_beta   91.21534901
_cell_angle_gamma   91.26531040
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSc4(FeO3)4
_chemical_formula_sum   'Li1 Sc4 Fe4 O12'
_cell_volume   222.82258554
_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  0.93839200  0.28377400  0.72641100  1
  Sc  Sc1  1  0.04946700  0.88077600  0.74254500  1
  Sc  Sc2  1  0.45593200  0.43105500  0.74829300  1
  Sc  Sc3  1  0.54011800  0.57031200  0.25286300  1
  Sc  Sc4  1  0.97360000  0.06237200  0.25876400  1
  Fe  Fe5  1  0.00188300  0.50414100  0.01650100  1
  Fe  Fe6  1  0.01356500  0.51164600  0.46716600  1
  Fe  Fe7  1  0.50230600  0.00417500  0.00076100  1
  Fe  Fe8  1  0.49997400  0.00709100  0.49995100  1
  O  O9  1  0.16923100  0.41881200  0.23599900  1
  O  O10  1  0.18496100  0.17648000  0.57302600  1
  O  O11  1  0.19015200  0.19826800  0.90651400  1
  O  O12  1  0.31181400  0.69388900  0.58318900  1
  O  O13  1  0.30421900  0.69712100  0.91946900  1
  O  O14  1  0.34427000  0.92405800  0.24766600  1
  O  O15  1  0.65982500  0.07252800  0.75447900  1
  O  O16  1  0.69770200  0.29781500  0.08892900  1
  O  O17  1  0.67884100  0.31861200  0.43148600  1
  O  O18  1  0.80391200  0.80102600  0.09124400  1
  O  O19  1  0.80103900  0.82287500  0.42880600  1
  O  O20  1  0.82879500  0.57317400  0.77594200  1
