# generated using pymatgen
data_Li6Fe3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.00569567
_cell_length_b   6.03162231
_cell_length_c   10.41819155
_cell_angle_alpha   89.17301025
_cell_angle_beta   75.08062037
_cell_angle_gamma   121.05865532
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6Fe3O8
_chemical_formula_sum   'Li12 Fe6 O16'
_cell_volume   307.40530740
_cell_formula_units_Z   2
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  0.47373400  0.47691300  0.00761600  1
  Li  Li1  1  0.99422100  0.99990200  0.00126900  1
  Li  Li2  1  0.49408700  0.00302800  0.00011700  1
  Li  Li3  1  0.57515600  0.27873700  0.15122900  1
  Li  Li4  1  0.00158300  0.98012700  0.50302700  1
  Li  Li5  1  0.42454600  0.22087900  0.34945100  1
  Li  Li6  1  0.50592100  0.49787800  0.49981600  1
  Li  Li7  1  0.00627400  0.50122800  0.49862200  1
  Li  Li8  1  0.56888900  0.77831600  0.64947100  1
  Li  Li9  1  0.52841400  0.02499500  0.49266500  1
  Li  Li10  1  0.43035900  0.72121000  0.85134800  1
  Li  Li11  1  0.99786600  0.52200400  0.99720600  1
  Fe  Fe12  1  0.50008500  0.75002500  0.24998100  1
  Fe  Fe13  1  0.00014100  0.75009700  0.24993100  1
  Fe  Fe14  1  0.00001500  0.25008300  0.24992900  1
  Fe  Fe15  1  0.00005600  0.75020800  0.74987400  1
  Fe  Fe16  1  0.99968000  0.24980800  0.75002500  1
  Fe  Fe17  1  0.50013000  0.25018300  0.74989200  1
  O  O18  1  0.24518700  0.62213600  0.12687400  1
  O  O19  1  0.74999500  0.63796800  0.13682200  1
  O  O20  1  0.75263400  0.10694300  0.13317400  1
  O  O21  1  0.22694100  0.11411000  0.13725900  1
  O  O22  1  0.25032300  0.86207400  0.36290300  1
  O  O23  1  0.75506700  0.87809800  0.37292000  1
  O  O24  1  0.77336300  0.38614400  0.36255700  1
  O  O25  1  0.24755500  0.39309900  0.36670700  1
  O  O26  1  0.75444100  0.61274400  0.63228800  1
  O  O27  1  0.21699400  0.59757300  0.64190400  1
  O  O28  1  0.25348200  0.11888700  0.62695300  1
  O  O29  1  0.75695900  0.13865200  0.64001400  1
  O  O30  1  0.78304700  0.90245100  0.85798200  1
  O  O31  1  0.24588500  0.88761700  0.86750500  1
  O  O32  1  0.24329700  0.36151600  0.85970500  1
  O  O33  1  0.74681700  0.38144200  0.87282000  1
