# generated using pymatgen
data_Li3Fe7O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19997128
_cell_length_b   5.19997128
_cell_length_c   9.85218880
_cell_angle_alpha   84.52650198
_cell_angle_beta   84.52650198
_cell_angle_gamma   121.56524009
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe7O12
_chemical_formula_sum   'Li3 Fe7 O12'
_cell_volume   222.60892249
_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  0.67463900  0.83494300  0.23920600  1
  Li  Li1  1  0.16505700  0.32536100  0.76079400  1
  Li  Li2  1  0.08188700  0.91811300  0.00000000  1
  Fe  Fe3  1  0.91908000  0.08092000  0.50000000  1
  Fe  Fe4  1  0.00407200  0.51314800  0.23743700  1
  Fe  Fe5  1  0.74391800  0.25608200  0.00000000  1
  Fe  Fe6  1  0.48685200  0.99592800  0.76256300  1
  Fe  Fe7  1  0.58359800  0.41640200  0.50000000  1
  Fe  Fe8  1  0.42682700  0.57317300  0.00000000  1
  Fe  Fe9  1  0.24765400  0.75234600  0.50000000  1
  O  O10  1  0.87235700  0.35882500  0.61504200  1
  O  O11  1  0.64117500  0.12764300  0.38495800  1
  O  O12  1  0.94648300  0.76334000  0.39038600  1
  O  O13  1  0.72666300  0.54746800  0.11678000  1
  O  O14  1  0.45253200  0.27333700  0.88322000  1
  O  O15  1  0.76812400  0.97344000  0.87843100  1
  O  O16  1  0.23666000  0.05351700  0.60961400  1
  O  O17  1  0.52033900  0.72195800  0.61121700  1
  O  O18  1  0.38232800  0.84893900  0.12234700  1
  O  O19  1  0.02656000  0.23187600  0.12156900  1
  O  O20  1  0.27804200  0.47966100  0.38878300  1
  O  O21  1  0.15106100  0.61767200  0.87765300  1
