# generated using pymatgen
data_Li3FeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.69760501
_cell_length_b   7.12967782
_cell_length_c   34.25703472
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   122.67195992
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3FeO6
_chemical_formula_sum   'Li3 Fe1 O6'
_cell_volume   1582.60070499
_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  -0.00000000  -0.00000000  0.50000000  1
  Li  Li1  1  0.50000000  0.50000000  0.00000000  1
  Li  Li2  1  -0.00000000  0.50000000  0.00000000  1
  Fe  Fe3  1  -0.00000000  -0.00000000  0.00000000  1
  O  O4  1  -0.00000000  -0.00000000  0.75532358  1
  O  O5  1  -0.00000000  -0.00000000  0.24467642  1
  O  O6  1  0.73905479  0.77176781  0.00000000  1
  O  O7  1  0.26094521  0.22823219  0.00000000  1
  O  O8  1  0.96728698  0.22823219  0.00000000  1
  O  O9  1  0.03271302  0.77176781  0.00000000  1
