# generated using pymatgen
data_Li3Mn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94798411
_cell_length_b   5.94798411
_cell_length_c   6.37386655
_cell_angle_alpha   62.39798442
_cell_angle_beta   62.39798442
_cell_angle_gamma   90.26085047
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Mn2O4
_chemical_formula_sum   'Li6 Mn4 O8'
_cell_volume   170.05002274
_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  0.86603400  0.13396600  0.25000000  1
  Li  Li1  1  0.00000000  0.00000000  0.00000000  1
  Li  Li2  1  0.00000000  0.00000000  0.50000000  1
  Li  Li3  1  0.50000000  0.00000000  0.50000000  1
  Li  Li4  1  0.13396600  0.86603400  0.75000000  1
  Li  Li5  1  0.00000000  0.50000000  0.00000000  1
  Mn  Mn6  1  0.50000000  0.00000000  0.00000000  1
  Mn  Mn7  1  0.50000000  0.50000000  0.00000000  1
  Mn  Mn8  1  0.50000000  0.50000000  0.50000000  1
  Mn  Mn9  1  0.00000000  0.50000000  0.50000000  1
  O  O10  1  0.26736800  0.73957000  0.50339400  1
  O  O11  1  0.74664100  0.75868200  0.47068800  1
  O  O12  1  0.24131800  0.25335900  0.02931200  1
  O  O13  1  0.73957000  0.26736800  0.00339400  1
  O  O14  1  0.75868200  0.74664100  0.97068800  1
  O  O15  1  0.26043000  0.73263200  0.99660600  1
  O  O16  1  0.73263200  0.26043000  0.49660600  1
  O  O17  1  0.25335900  0.24131800  0.52931200  1
