# generated using pymatgen
data_Li9Mn21O40
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.04046063
_cell_length_b   10.04046063
_cell_length_c   10.04046063
_cell_angle_alpha   99.60060518
_cell_angle_beta   99.60060518
_cell_angle_gamma   131.79302223
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li9Mn21O40
_chemical_formula_sum   'Li9 Mn21 O40'
_cell_volume   688.84565589
_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  0.40005400  0.19991300  0.59996700  1
  Li  Li1  1  0.80008700  0.40005400  0.20014100  1
  Li  Li2  1  0.19991300  0.59994600  0.79985900  1
  Li  Li3  1  0.45113300  0.35069600  0.30113800  1
  Li  Li4  1  0.59994600  0.80008700  0.40003300  1
  Li  Li5  1  0.85000600  0.54886700  0.89956400  1
  Li  Li6  1  0.25000000  0.75000000  0.50000000  1
  Li  Li7  1  0.64930400  0.95044200  0.10043600  1
  Li  Li8  1  0.04955800  0.14999400  0.69886200  1
  Mn  Mn9  1  0.92515500  0.77510800  0.44995000  1
  Mn  Mn10  1  0.72222400  0.67191800  0.15096100  1
  Mn  Mn11  1  0.42873700  0.27777600  0.94969400  1
  Mn  Mn12  1  0.32766200  0.97441900  0.05118600  1
  Mn  Mn13  1  0.12502400  0.87303200  0.74720900  1
  Mn  Mn14  1  0.72352400  0.67233800  0.64675800  1
  Mn  Mn15  1  0.82493000  0.47461700  0.54991800  1
  Mn  Mn16  1  0.72498800  0.17507000  0.64968700  1
  Mn  Mn17  1  0.52538300  0.07530100  0.35031300  1
  Mn  Mn18  1  0.12696800  0.87417700  0.25199200  1
  Mn  Mn19  1  0.22489200  0.67484200  0.15004700  1
  Mn  Mn20  1  0.12582300  0.37781500  0.25279100  1
  Mn  Mn21  1  0.92323300  0.27647600  0.94881400  1
  Mn  Mn22  1  0.00000000  0.00000000  0.00000000  1
  Mn  Mn23  1  0.52479400  0.07484500  0.84995300  1
  Mn  Mn24  1  0.62218500  0.87497600  0.74800800  1
  Mn  Mn25  1  0.52095700  0.57126300  0.84903900  1
  Mn  Mn26  1  0.32515800  0.47520600  0.55005000  1
  Mn  Mn27  1  0.92469900  0.27501200  0.45008200  1
  Mn  Mn28  1  0.02558100  0.07676700  0.35324200  1
  Mn  Mn29  1  0.32808200  0.47904300  0.05030600  1
  O  O30  1  0.15128500  0.00647600  0.43446300  1
  O  O31  1  0.97251300  0.91728900  0.16582200  1
  O  O32  1  0.88313200  0.64875600  0.25562900  1
  O  O33  1  0.65758100  0.52347900  0.95533000  1
  O  O34  1  0.55154200  0.20646000  0.03415700  1
  O  O35  1  0.37249600  0.11686800  0.76562400  1
  O  O36  1  0.19330900  0.02748700  0.94477600  1
  O  O37  1  0.28317700  0.84871500  0.85519100  1
  O  O38  1  0.96695800  0.90084500  0.64466900  1
  O  O39  1  0.87764500  0.63288400  0.73381500  1
  O  O40  1  0.05634800  0.72144900  0.55431700  1
  O  O41  1  0.69855800  0.54269600  0.46485800  1
  O  O42  1  0.95114500  0.40642200  0.63409800  1
  O  O43  1  0.77232400  0.31704800  0.36590200  1
  O  O44  1  0.59357800  0.22767600  0.54472300  1
  O  O45  1  0.68295200  0.04885500  0.45527700  1
  O  O46  1  0.36711600  0.10093000  0.24476100  1
  O  O47  1  0.27855100  0.83286900  0.33489900  1
  O  O48  1  0.45730400  0.92216200  0.15586200  1
  O  O49  1  0.09915500  0.74382400  0.06611400  1
  O  O50  1  0.35124400  0.60687300  0.23437600  1
  O  O51  1  0.99352400  0.42798600  0.14480900  1
  O  O52  1  0.17230300  0.51738400  0.96584300  1
  O  O53  1  0.08271100  0.24853300  0.05522400  1
  O  O54  1  0.76630000  0.30144200  0.84413800  1
  O  O55  1  0.67771000  0.03304200  0.93388600  1
  O  O56  1  0.85616900  0.12235500  0.75523900  1
  O  O57  1  0.49797000  0.94365200  0.66510100  1
  O  O58  1  0.75146700  0.80669100  0.83417800  1
  O  O59  1  0.57201400  0.71682300  0.56553700  1
  O  O60  1  0.39312700  0.62750400  0.74437100  1
  O  O61  1  0.48261600  0.44845800  0.65491800  1
  O  O62  1  0.16713100  0.50203000  0.44568300  1
  O  O63  1  0.07783800  0.23370000  0.53514200  1
  O  O64  1  0.25617600  0.32229000  0.35533100  1
  O  O65  1  0.89907000  0.14383100  0.26618500  1
  O  O66  1  0.79354000  0.82769700  0.34508200  1
  O  O67  1  0.56814800  0.70225100  0.04467000  1
  O  O68  1  0.47652100  0.43185200  0.13410300  1
  O  O69  1  0.29774900  0.34241900  0.86589700  1
