# generated using pymatgen
data_Li2Mn3CuO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.38357575
_cell_length_b   8.30052138
_cell_length_c   8.33339297
_cell_angle_alpha   89.89732798
_cell_angle_beta   90.22882249
_cell_angle_gamma   90.08057196
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Mn3CuO8
_chemical_formula_sum   'Li8 Mn12 Cu4 O32'
_cell_volume   579.89844120
_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  0.00526100  0.00603000  0.00463600  1
  Li  Li1  1  0.24669500  0.24327000  0.24262800  1
  Li  Li2  1  0.25542200  0.75435900  0.74568000  1
  Li  Li3  1  0.49544000  0.99252000  0.50682700  1
  Li  Li4  1  0.50344600  0.49586900  0.99570400  1
  Li  Li5  1  0.74446300  0.25733500  0.75716200  1
  Li  Li6  1  0.75412000  0.74364100  0.25412800  1
  Li  Li7  1  0.99461000  0.50740700  0.49359800  1
  Mn  Mn8  1  0.11916400  0.12916300  0.62779000  1
  Mn  Mn9  1  0.12816400  0.38323200  0.87059300  1
  Mn  Mn10  1  0.13322600  0.62595100  0.11788700  1
  Mn  Mn11  1  0.36893800  0.37873200  0.62065300  1
  Mn  Mn12  1  0.37671200  0.62150300  0.36737400  1
  Mn  Mn13  1  0.38183400  0.86712200  0.12170300  1
  Mn  Mn14  1  0.61635900  0.37054900  0.37117600  1
  Mn  Mn15  1  0.62292500  0.12001300  0.12865700  1
  Mn  Mn16  1  0.63118500  0.87075500  0.88332300  1
  Mn  Mn17  1  0.86780800  0.12372700  0.37973100  1
  Mn  Mn18  1  0.87447000  0.87902900  0.63219600  1
  Mn  Mn19  1  0.88068400  0.63000200  0.87853800  1
  Cu  Cu20  1  0.12318400  0.87493000  0.37235200  1
  Cu  Cu21  1  0.37309900  0.12316700  0.87542100  1
  Cu  Cu22  1  0.62286500  0.62552000  0.62687900  1
  Cu  Cu23  1  0.87485300  0.37668200  0.12650000  1
  O  O24  1  0.09988200  0.11510700  0.39238400  1
  O  O25  1  0.10340500  0.90034100  0.63352300  1
  O  O26  1  0.11514200  0.61802700  0.88293700  1
  O  O27  1  0.12574200  0.15284600  0.85910000  1
  O  O28  1  0.14037300  0.39564500  0.09749900  1
  O  O29  1  0.13373700  0.36628200  0.63174700  1
  O  O30  1  0.14301600  0.63540000  0.35012500  1
  O  O31  1  0.15455900  0.85838600  0.11632600  1
  O  O32  1  0.35057400  0.14257300  0.63502900  1
  O  O33  1  0.35531200  0.38991500  0.84627700  1
  O  O34  1  0.36603500  0.63310500  0.13332000  1
  O  O35  1  0.37512800  0.61110200  0.59604300  1
  O  O36  1  0.38141700  0.85102000  0.35339900  1
  O  O37  1  0.38211100  0.38239500  0.38505200  1
  O  O38  1  0.39108900  0.09858200  0.11446300  1
  O  O39  1  0.40609000  0.86015200  0.89239800  1
  O  O40  1  0.60046800  0.38500300  0.60717500  1
  O  O41  1  0.60360700  0.59772600  0.36112900  1
  O  O42  1  0.61722000  0.88391400  0.11724000  1
  O  O43  1  0.60951300  0.34599300  0.14287500  1
  O  O44  1  0.62428800  0.10517000  0.89856700  1
  O  O45  1  0.63345500  0.13328700  0.36704000  1
  O  O46  1  0.64170200  0.86498000  0.65141800  1
  O  O47  1  0.65625000  0.64052300  0.88928300  1
  O  O48  1  0.84812300  0.35933300  0.36716200  1
  O  O49  1  0.85437000  0.12806400  0.14916400  1
  O  O50  1  0.86620200  0.86661200  0.86784700  1
  O  O51  1  0.86850900  0.89195300  0.40333400  1
  O  O52  1  0.87468300  0.64828800  0.64625500  1
  O  O53  1  0.88355100  0.11766200  0.61596100  1
  O  O54  1  0.89482300  0.39786000  0.88399800  1
  O  O55  1  0.90469300  0.62238700  0.11093300  1
