# generated using pymatgen
data_Li7Fe5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99096686
_cell_length_b   4.99096686
_cell_length_c   9.45816016
_cell_angle_alpha   85.63837473
_cell_angle_beta   85.63837473
_cell_angle_gamma   118.24166467
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li7Fe5O12
_chemical_formula_sum   'Li7 Fe5 O12'
_cell_volume   205.26306572
_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  0.75433519  0.24566481  -0.00000000  1
  Li  Li1  1  0.83270373  0.65626781  0.75717669  1
  Li  Li2  1  0.65289284  0.82784053  0.24811815  1
  Li  Li3  1  0.34373219  0.16729627  0.24282331  1
  Li  Li4  1  0.17215947  0.34710716  0.75188185  1
  Li  Li5  1  0.24919945  0.75080055  0.50000000  1
  Li  Li6  1  0.08125449  0.91874551  -0.00000000  1
  Fe  Fe7  1  0.91868192  0.08131808  0.50000000  1
  Fe  Fe8  1  0.99506541  0.50895614  0.24093234  1
  Fe  Fe9  1  0.49104386  0.00493459  0.75906766  1
  Fe  Fe10  1  0.57586859  0.42413141  0.50000000  1
  Fe  Fe11  1  0.42314764  0.57685236  -0.00000000  1
  O  O12  1  0.08415319  0.25430382  0.11294893  1
  O  O13  1  0.74569618  0.91584681  0.88705107  1
  O  O14  1  0.84870824  0.35165151  0.62971943  1
  O  O15  1  0.64834849  0.15129176  0.37028057  1
  O  O16  1  0.70768525  0.54218275  0.12050623  1
  O  O17  1  0.45781725  0.29231475  0.87949377  1
  O  O18  1  0.55600125  0.72855362  0.62045011  1
  O  O19  1  0.27144638  0.44399875  0.37954989  1
  O  O20  1  0.36475014  0.83730608  0.12369339  1
  O  O21  1  0.16269392  0.63524986  0.87630661  1
  O  O22  1  0.22059080  0.05797890  0.62393726  1
  O  O23  1  0.94202110  0.77940920  0.37606274  1
