# generated using pymatgen
data_Li3Mn3FeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96808695
_cell_length_b   5.80627002
_cell_length_c   9.50893476
_cell_angle_alpha   90.60134672
_cell_angle_beta   91.48968496
_cell_angle_gamma   60.11807750
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Mn3FeO8
_chemical_formula_sum   'Li6 Mn6 Fe2 O16'
_cell_volume   285.60238206
_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  0.15554900  0.18320200  0.55650000  1
  Li  Li1  1  0.64834200  0.17987900  0.55253900  1
  Li  Li2  1  0.16804500  0.66498100  0.55607100  1
  Li  Li3  1  0.83607300  0.34227200  0.05811500  1
  Li  Li4  1  0.35481900  0.81985500  0.05962000  1
  Li  Li5  1  0.82552400  0.82105800  0.05655500  1
  Mn  Mn6  1  0.16818700  0.16998100  0.28807200  1
  Mn  Mn7  1  0.65797900  0.17330000  0.28667300  1
  Mn  Mn8  1  0.16541600  0.66921400  0.28900600  1
  Mn  Mn9  1  0.83937700  0.32795900  0.78643600  1
  Mn  Mn10  1  0.34365200  0.82653400  0.78406600  1
  Mn  Mn11  1  0.83763100  0.82587200  0.78240300  1
  Fe  Fe12  1  0.34803600  0.31932100  0.00560100  1
  Fe  Fe13  1  0.65398200  0.68069800  0.51233100  1
  O  O14  1  0.98147500  0.00022600  0.18167800  1
  O  O15  1  0.97017600  0.01143100  0.67440400  1
  O  O16  1  0.17324400  0.14207800  0.90539400  1
  O  O17  1  0.49756700  0.02391900  0.15970800  1
  O  O18  1  0.68274800  0.12905500  0.90641100  1
  O  O19  1  0.34575100  0.34265400  0.39920900  1
  O  O20  1  0.04720900  0.47362700  0.16107100  1
  O  O21  1  0.50388000  0.46878400  0.14868000  1
  O  O22  1  0.81345700  0.34243500  0.40603400  1
  O  O23  1  0.16730000  0.66796000  0.89483600  1
  O  O24  1  0.51747900  0.52776400  0.65423700  1
  O  O25  1  0.96085900  0.53717000  0.64533300  1
  O  O26  1  0.71021000  0.64360900  0.90006300  1
  O  O27  1  0.30302200  0.85681400  0.40977800  1
  O  O28  1  0.51986200  0.96544800  0.65983500  1
  O  O29  1  0.80339500  0.86265100  0.40970600  1
