# generated using pymatgen
data_Li6FeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46019613
_cell_length_b   5.46019613
_cell_length_c   5.46019611
_cell_angle_alpha   63.90654875
_cell_angle_beta   63.90654875
_cell_angle_gamma   63.90655118
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6FeO6
_chemical_formula_sum   'Li6 Fe1 O6'
_cell_volume   125.02034098
_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  0.92590300  0.27911400  0.50374200  1
  Li  Li1  1  0.49625800  0.07409700  0.72088600  1
  Li  Li2  1  0.72088600  0.49625800  0.07409700  1
  Li  Li3  1  0.27911400  0.50374200  0.92590300  1
  Li  Li4  1  0.50374200  0.92590300  0.27911400  1
  Li  Li5  1  0.07409700  0.72088600  0.49625800  1
  Fe  Fe6  1  0.00000000  0.00000000  0.00000000  1
  O  O7  1  0.79561800  0.09210200  0.34967000  1
  O  O8  1  0.65033000  0.20438200  0.90789800  1
  O  O9  1  0.90789800  0.65033000  0.20438200  1
  O  O10  1  0.09210200  0.34967000  0.79561800  1
  O  O11  1  0.34967000  0.79561800  0.09210200  1
  O  O12  1  0.20438200  0.90789800  0.65033000  1
