# generated using pymatgen
data_Li3MnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.10541108
_cell_length_b   7.10541108
_cell_length_c   7.10541108
_cell_angle_alpha   109.47122063
_cell_angle_beta   109.47122063
_cell_angle_gamma   109.47122063
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3MnO4
_chemical_formula_sum   'Li12 Mn4 O16'
_cell_volume   276.15043773
_cell_formula_units_Z   4
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  0.73873000  0.48383400  0.00000000  1
  Li  Li1  1  0.26127000  0.74510300  0.26127000  1
  Li  Li2  1  0.74510300  0.26127000  0.26127000  1
  Li  Li3  1  0.26127000  0.26127000  0.74510300  1
  Li  Li4  1  0.51616600  0.25489700  0.51616600  1
  Li  Li5  1  0.25489700  0.51616600  0.51616600  1
  Li  Li6  1  0.51616600  0.51616600  0.25489700  1
  Li  Li7  1  0.00000000  0.73873000  0.48383400  1
  Li  Li8  1  0.48383400  0.73873000  0.00000000  1
  Li  Li9  1  0.73873000  0.00000000  0.48383400  1
  Li  Li10  1  0.48383400  0.00000000  0.73873000  1
  Li  Li11  1  0.00000000  0.48383400  0.73873000  1
  Mn  Mn12  1  0.73706000  0.73706000  0.73706000  1
  Mn  Mn13  1  0.00000000  0.00000000  0.26294000  1
  Mn  Mn14  1  0.26294000  0.00000000  0.00000000  1
  Mn  Mn15  1  0.00000000  0.26294000  0.00000000  1
  O  O16  1  0.22748200  0.22748200  0.22748200  1
  O  O17  1  0.00000000  0.47647500  0.23435500  1
  O  O18  1  0.00000000  0.77251800  0.00000000  1
  O  O19  1  0.47647500  0.23435500  0.00000000  1
  O  O20  1  0.23435500  0.47647500  0.00000000  1
  O  O21  1  0.00000000  0.23435500  0.47647500  1
  O  O22  1  0.76564500  0.76564500  0.24212000  1
  O  O23  1  0.23435500  0.00000000  0.47647500  1
  O  O24  1  0.47647500  0.00000000  0.23435500  1
  O  O25  1  0.76564500  0.24212000  0.76564500  1
  O  O26  1  0.24212000  0.76564500  0.76564500  1
  O  O27  1  0.77251800  0.00000000  0.00000000  1
  O  O28  1  0.75788000  0.52352500  0.52352500  1
  O  O29  1  0.52352500  0.75788000  0.52352500  1
  O  O30  1  0.52352500  0.52352500  0.75788000  1
  O  O31  1  0.00000000  0.00000000  0.77251800  1
