# generated using pymatgen
data_Li9Mn21O40
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98781696
_cell_length_b   5.98558494
_cell_length_c   21.48813704
_cell_angle_alpha   97.52777079
_cell_angle_beta   82.46905141
_cell_angle_gamma   86.59724671
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li9Mn21O40
_chemical_formula_sum   'Li9 Mn21 O40'
_cell_volume   754.62617813
_cell_formula_units_Z   1
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  0.97644500  0.77355500  0.04711200  1
  Li  Li1  1  0.37355300  0.37644700  0.25289300  1
  Li  Li2  1  0.82580000  0.42420000  0.34839800  1
  Li  Li3  1  0.77291300  0.97708700  0.45417600  1
  Li  Li4  1  0.22565800  0.02434200  0.54868400  1
  Li  Li5  1  0.57708000  0.17292000  0.84583800  1
  Li  Li6  1  0.17500400  0.57499600  0.64999300  1
  Li  Li7  1  0.62436900  0.62563100  0.75126300  1
  Li  Li8  1  0.02422200  0.22577800  0.95155600  1
  Mn  Mn9  1  0.49929700  0.00081100  0.99758700  1
  Mn  Mn10  1  0.89806200  0.10400700  0.20085500  1
  Mn  Mn11  1  0.50311600  0.49677500  0.99758700  1
  Mn  Mn12  1  0.70409900  0.29814400  0.09920400  1
  Mn  Mn13  1  0.19669800  0.30106000  0.09920400  1
  Mn  Mn14  1  0.90108300  0.59684800  0.20085500  1
  Mn  Mn15  1  0.42500500  0.82499500  0.14999100  1
  Mn  Mn16  1  0.29910700  0.20074800  0.40133200  1
  Mn  Mn17  1  0.60068200  0.89921200  0.30244300  1
  Mn  Mn18  1  0.90254500  0.09793200  0.69932200  1
  Mn  Mn19  1  0.69796500  0.30251300  0.60066500  1
  Mn  Mn20  1  0.29956200  0.70058400  0.40133200  1
  Mn  Mn21  1  0.49926700  0.49989800  0.50088600  1
  Mn  Mn22  1  0.09687500  0.90323100  0.30244300  1
  Mn  Mn23  1  0.70136900  0.79815100  0.60066500  1
  Mn  Mn24  1  0.39813200  0.10139000  0.69932200  1
  Mn  Mn25  1  0.99984700  0.50098800  0.50088600  1
  Mn  Mn26  1  0.80073300  0.69910700  0.89867100  1
  Mn  Mn27  1  0.10102600  0.39985000  0.79908200  1
  Mn  Mn28  1  0.09989200  0.89923200  0.79908200  1
  Mn  Mn29  1  0.30059600  0.69956600  0.89867100  1
  O  O30  1  0.94392400  0.07312500  0.10636600  1
  O  O31  1  0.72510900  0.25884200  0.00536900  1
  O  O32  1  0.94971000  0.53324200  0.10636600  1
  O  O33  1  0.26952200  0.24652700  0.00536900  1
  O  O34  1  0.44861900  0.07119400  0.09483000  1
  O  O35  1  0.85888600  0.12512500  0.29467500  1
  O  O36  1  0.45655100  0.52363500  0.09483000  1
  O  O37  1  0.67313300  0.34392400  0.19366700  1
  O  O38  1  0.13320100  0.34974300  0.19366700  1
  O  O39  1  0.67108200  0.84859500  0.20517000  1
  O  O40  1  0.35605000  0.13262800  0.30954600  1
  O  O41  1  0.84643900  0.66955000  0.29467500  1
  O  O42  1  0.33440400  0.67691700  0.30954600  1
  O  O43  1  0.12374600  0.85657500  0.20517000  1
  O  O44  1  0.51363500  0.43953800  0.40356400  1
  O  O45  1  0.73293600  0.27366900  0.50899600  1
  O  O46  1  0.91835700  0.04885000  0.60621800  1
  O  O47  1  0.92016300  0.54036700  0.59803700  1
  O  O48  1  0.51562400  0.93791600  0.39940500  1
  O  O49  1  0.75806700  0.73532800  0.50899600  1
  O  O50  1  0.08280100  0.46402600  0.40356400  1
  O  O51  1  0.47542500  0.05736800  0.60621800  1
  O  O52  1  0.24042200  0.26672500  0.49307500  1
  O  O53  1  0.87372300  0.13289100  0.79098100  1
  O  O54  1  0.48180100  0.55766900  0.59803700  1
  O  O55  1  0.08497100  0.96148800  0.39940500  1
  O  O56  1  0.26650200  0.72635100  0.49307500  1
  O  O57  1  0.64904700  0.31840400  0.69373700  1
  O  O58  1  0.86668400  0.64047400  0.80692000  1
  O  O59  1  0.33529600  0.15809000  0.79098100  1
  O  O60  1  0.65721700  0.87533300  0.69373700  1
  O  O61  1  0.14045700  0.32032100  0.70194800  1
  O  O62  1  0.56148400  0.48491900  0.90062500  1
  O  O63  1  0.15759400  0.88162800  0.70194800  1
  O  O64  1  0.32639600  0.66644700  0.80692000  1
  O  O65  1  0.06403200  0.48276400  0.89641000  1
  O  O66  1  0.73258000  0.75604000  0.99046000  1
  O  O67  1  0.53789000  0.91570600  0.90062500  1
  O  O68  1  0.27695900  0.73442000  0.99046000  1
  O  O69  1  0.03955800  0.91364700  0.89641000  1
