# generated using pymatgen
data_Li2Mn3NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.31975200
_cell_length_b   8.27646800
_cell_length_c   8.29083881
_cell_angle_alpha   89.75987203
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Mn3NiO8
_chemical_formula_sum   'Li8 Mn12 Ni4 O32'
_cell_volume   570.88690167
_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  0.62512600  0.37662000  0.87380300  1
  Li  Li1  1  0.25182400  0.50449700  0.75073700  1
  Li  Li2  1  0.75182400  0.49550300  0.24926300  1
  Li  Li3  1  0.12512600  0.62338000  0.12619700  1
  Li  Li4  1  0.37428100  0.87528400  0.62401000  1
  Li  Li5  1  0.74870500  0.00347600  0.74746200  1
  Li  Li6  1  0.24870500  0.99652400  0.25253800  1
  Li  Li7  1  0.87428100  0.12471600  0.37599000  1
  Mn  Mn8  1  0.87920300  0.37684100  0.62189600  1
  Mn  Mn9  1  0.12530900  0.37318100  0.37680500  1
  Mn  Mn10  1  0.37681600  0.37404700  0.12288700  1
  Mn  Mn11  1  0.87681600  0.62595300  0.87711300  1
  Mn  Mn12  1  0.62530900  0.62681900  0.62319500  1
  Mn  Mn13  1  0.37920300  0.62315900  0.37810400  1
  Mn  Mn14  1  0.12257200  0.87430100  0.87697000  1
  Mn  Mn15  1  0.87563600  0.87589600  0.12249100  1
  Mn  Mn16  1  0.62193600  0.87669100  0.37594800  1
  Mn  Mn17  1  0.12193600  0.12330900  0.62405200  1
  Mn  Mn18  1  0.37563600  0.12410400  0.87750900  1
  Mn  Mn19  1  0.62257200  0.12569900  0.12303000  1
  Ni  Ni20  1  0.50303600  0.24762800  0.50697900  1
  Ni  Ni21  1  0.00303600  0.75237200  0.49302100  1
  Ni  Ni22  1  0.49967000  0.74591900  0.99761200  1
  Ni  Ni23  1  0.99967000  0.25408100  0.00238800  1
  O  O24  1  0.60554200  0.35590100  0.12500100  1
  O  O25  1  0.37186100  0.35811100  0.89613800  1
  O  O26  1  0.11409300  0.36422300  0.61324400  1
  O  O27  1  0.89975500  0.38087300  0.39254200  1
  O  O28  1  0.14040500  0.37458400  0.14719900  1
  O  O29  1  0.36591800  0.38492600  0.36377600  1
  O  O30  1  0.65065200  0.39538700  0.61815100  1
  O  O31  1  0.87610300  0.39887900  0.85940100  1
  O  O32  1  0.37610300  0.60112100  0.14059900  1
  O  O33  1  0.15065200  0.60461300  0.38184900  1
  O  O34  1  0.86591800  0.61507400  0.63622400  1
  O  O35  1  0.64040500  0.62541600  0.85280100  1
  O  O36  1  0.39975500  0.61912700  0.60745800  1
  O  O37  1  0.61409300  0.63577700  0.38675600  1
  O  O38  1  0.87186100  0.64188900  0.10386200  1
  O  O39  1  0.10554200  0.64409900  0.87499900  1
  O  O40  1  0.39305400  0.85386200  0.37201500  1
  O  O41  1  0.62613800  0.86081800  0.60143700  1
  O  O42  1  0.88720800  0.86587900  0.88671000  1
  O  O43  1  0.10117500  0.87955800  0.10736100  1
  O  O44  1  0.85758800  0.87679300  0.35378800  1
  O  O45  1  0.63417300  0.88972600  0.13647400  1
  O  O46  1  0.35318000  0.88980600  0.87716000  1
  O  O47  1  0.11862300  0.89713100  0.64078700  1
  O  O48  1  0.61862300  0.10286900  0.35921300  1
  O  O49  1  0.85318000  0.11019400  0.12284000  1
  O  O50  1  0.13417300  0.11027400  0.86352600  1
  O  O51  1  0.35758800  0.12320700  0.64621200  1
  O  O52  1  0.60117500  0.12044200  0.89263900  1
  O  O53  1  0.38720800  0.13412100  0.11329000  1
  O  O54  1  0.12613800  0.13918200  0.39856300  1
  O  O55  1  0.89305400  0.14613800  0.62798500  1
