# generated using pymatgen
data_Li6Fe5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07257362
_cell_length_b   5.07257362
_cell_length_c   9.52160693
_cell_angle_alpha   85.99016096
_cell_angle_beta   85.99016096
_cell_angle_gamma   116.53455563
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6Fe5O12
_chemical_formula_sum   'Li6 Fe5 O12'
_cell_volume   217.24746115
_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  0.74812500  0.25187500  0.00000000  1
  Li  Li1  1  0.83753300  0.65589600  0.75525500  1
  Li  Li2  1  0.68045800  0.85921900  0.24064400  1
  Li  Li3  1  0.34410400  0.16246700  0.24474500  1
  Li  Li4  1  0.14078100  0.31954200  0.75935600  1
  Li  Li5  1  0.07838000  0.92162000  0.00000000  1
  Fe  Fe6  1  0.93036200  0.06963800  0.50000000  1
  Fe  Fe7  1  0.48989200  0.99326600  0.75276700  1
  Fe  Fe8  1  0.00673400  0.51010800  0.24723300  1
  Fe  Fe9  1  0.57578500  0.42421500  0.50000000  1
  Fe  Fe10  1  0.42474700  0.57525300  0.00000000  1
  O  O11  1  0.82149300  0.31579200  0.63474400  1
  O  O12  1  0.68420800  0.17850700  0.36525600  1
  O  O13  1  0.92633700  0.76445500  0.37337700  1
  O  O14  1  0.71061600  0.54991600  0.11846600  1
  O  O15  1  0.74924000  0.94272500  0.87789800  1
  O  O16  1  0.45008400  0.28938400  0.88153400  1
  O  O17  1  0.59466900  0.73748200  0.61730300  1
  O  O18  1  0.23554500  0.07366300  0.62662300  1
  O  O19  1  0.26251800  0.40533100  0.38269700  1
  O  O20  1  0.34104500  0.82799000  0.13622000  1
  O  O21  1  0.05727500  0.25076000  0.12210200  1
  O  O22  1  0.17201000  0.65895500  0.86378000  1
