# generated using pymatgen
data_LiSc4(FeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23753609
_cell_length_b   5.23707521
_cell_length_c   8.43667366
_cell_angle_alpha   88.65771100
_cell_angle_beta   93.97941993
_cell_angle_gamma   93.20376022
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSc4(FeO3)4
_chemical_formula_sum   'Li1 Sc4 Fe4 O12'
_cell_volume   230.44952894
_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  0.75441500  0.01693500  0.92652400  1
  Sc  Sc1  1  0.08838900  0.93488000  0.71473200  1
  Sc  Sc2  1  0.48214500  0.46999300  0.79517300  1
  Sc  Sc3  1  0.56710600  0.55737900  0.22680900  1
  Sc  Sc4  1  0.00779200  0.03976600  0.30123400  1
  Fe  Fe5  1  0.00965400  0.52427600  0.00230200  1
  Fe  Fe6  1  0.92689600  0.44099600  0.56188500  1
  Fe  Fe7  1  0.35384400  0.06054700  0.06509800  1
  Fe  Fe8  1  0.52119100  0.98097400  0.49747000  1
  O  O9  1  0.19925300  0.36196800  0.18711600  1
  O  O10  1  0.18581300  0.17947700  0.52820600  1
  O  O11  1  0.16586300  0.23275700  0.86902000  1
  O  O12  1  0.31608700  0.68814600  0.61101900  1
  O  O13  1  0.31910800  0.74353500  0.93080900  1
  O  O14  1  0.36404300  0.87459100  0.28351600  1
  O  O15  1  0.70467900  0.16559500  0.68560300  1
  O  O16  1  0.66567200  0.33428800  0.02645000  1
  O  O17  1  0.72021400  0.27559400  0.37583500  1
  O  O18  1  0.85129400  0.80708500  0.11780400  1
  O  O19  1  0.81709800  0.76418800  0.45482600  1
  O  O20  1  0.84194300  0.64702800  0.78023800  1
