# generated using pymatgen
data_LiFeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.69735631
_cell_length_b   8.69735631
_cell_length_c   9.89540604
_cell_angle_alpha   82.35823657
_cell_angle_beta   82.35823657
_cell_angle_gamma   58.94605295
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeO3
_chemical_formula_sum   'Li12 Fe12 O36'
_cell_volume   633.72581038
_cell_formula_units_Z   12
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  0.99478400  0.67549800  0.49457100  1
  Li  Li1  1  0.86871000  0.86871000  0.04231100  1
  Li  Li2  1  0.72201700  0.72201700  0.92645500  1
  Li  Li3  1  0.67549800  0.99478400  0.49457100  1
  Li  Li4  1  0.64851000  0.64851000  0.47913900  1
  Li  Li5  1  0.53633100  0.53633100  0.04095300  1
  Li  Li6  1  0.43650400  0.43650400  0.56052000  1
  Li  Li7  1  0.38738300  0.38738300  0.93067200  1
  Li  Li8  1  0.20122800  0.20122800  0.03981200  1
  Li  Li9  1  0.22780900  0.22780900  0.43256700  1
  Li  Li10  1  0.05399500  0.05399500  0.92918800  1
  Li  Li11  1  0.01353100  0.01353100  0.51396100  1
  Fe  Fe12  1  0.91860100  0.58030400  0.24816900  1
  Fe  Fe13  1  0.91148400  0.25206200  0.25172500  1
  Fe  Fe14  1  0.74373000  0.08157900  0.74984300  1
  Fe  Fe15  1  0.75044100  0.41019600  0.74675700  1
  Fe  Fe16  1  0.58030400  0.91860100  0.24816900  1
  Fe  Fe17  1  0.58520400  0.24852700  0.24984300  1
  Fe  Fe18  1  0.41019600  0.75044100  0.74675700  1
  Fe  Fe19  1  0.41347600  0.07777600  0.74751100  1
  Fe  Fe20  1  0.24852700  0.58520400  0.24984300  1
  Fe  Fe21  1  0.25206200  0.91148400  0.25172500  1
  Fe  Fe22  1  0.08157900  0.74373000  0.74984300  1
  Fe  Fe23  1  0.07777600  0.41347600  0.74751100  1
  O  O24  1  0.98226800  0.61299300  0.85447700  1
  O  O25  1  0.94009500  0.94009500  0.86102500  1
  O  O26  1  0.94729600  0.31515000  0.85466800  1
  O  O27  1  0.88179700  0.51013800  0.64042100  1
  O  O28  1  0.88854100  0.88854100  0.63090800  1
  O  O29  1  0.84194300  0.21221100  0.64367000  1
  O  O30  1  0.81953500  0.45098600  0.35561500  1
  O  O31  1  0.77481000  0.77481000  0.36675500  1
  O  O32  1  0.78137700  0.15045600  0.35954700  1
  O  O33  1  0.64814800  0.28099400  0.85458900  1
  O  O34  1  0.72956700  0.72956700  0.13113200  1
  O  O35  1  0.71982100  0.34085200  0.14393100  1
  O  O36  1  0.60788300  0.60788300  0.85832000  1
  O  O37  1  0.61299300  0.98226800  0.85447700  1
  O  O38  1  0.67400300  0.05363000  0.14370000  1
  O  O39  1  0.55167100  0.55167100  0.63701600  1
  O  O40  1  0.54901800  0.17493200  0.63961800  1
  O  O41  1  0.51013800  0.88179700  0.64042100  1
  O  O42  1  0.48662400  0.11466700  0.35878300  1
  O  O43  1  0.45098600  0.81953500  0.35561500  1
  O  O44  1  0.44392900  0.44392900  0.35897300  1
  O  O45  1  0.31515000  0.94729600  0.85466800  1
  O  O46  1  0.38511400  0.00805200  0.14440000  1
  O  O47  1  0.39517300  0.39517300  0.13250800  1
  O  O48  1  0.28099400  0.64814800  0.85458900  1
  O  O49  1  0.27504500  0.27504500  0.85929000  1
  O  O50  1  0.34085200  0.71982100  0.14393100  1
  O  O51  1  0.21221100  0.84194300  0.64367000  1
  O  O52  1  0.21941700  0.21941700  0.63787200  1
  O  O53  1  0.17493200  0.54901800  0.63961800  1
  O  O54  1  0.15045600  0.78137700  0.35954700  1
  O  O55  1  0.11169300  0.11169300  0.36047900  1
  O  O56  1  0.11466700  0.48662400  0.35878300  1
  O  O57  1  0.05363000  0.67400300  0.14370000  1
  O  O58  1  0.06163300  0.06163300  0.13412900  1
  O  O59  1  0.00805200  0.38511400  0.14440000  1
