# generated using pymatgen
data_Li3Mn5(NiO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09276500
_cell_length_b   5.12237654
_cell_length_c   28.73153908
_cell_angle_alpha   89.32015226
_cell_angle_beta   91.56838090
_cell_angle_gamma   119.68856766
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Mn5(NiO6)2
_chemical_formula_sum   'Li9 Mn15 Ni6 O36'
_cell_volume   650.88681230
_cell_formula_units_Z   3
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  0.33151100  0.16060400  0.50536200  1
  Li  Li1  1  0.99729000  0.15945600  0.83861000  1
  Li  Li2  1  0.99638300  0.16151200  0.32793400  1
  Li  Li3  1  0.99431500  0.83345900  0.66325000  1
  Li  Li4  1  0.01588000  0.84819500  0.91735200  1
  Li  Li5  1  0.00355800  0.83314100  0.17035700  1
  Li  Li6  1  0.34879700  0.84745400  0.58404700  1
  Li  Li7  1  0.66274100  0.83323900  0.99614900  1
  Li  Li8  1  0.66561300  0.84798100  0.24927200  1
  Mn  Mn9  1  0.33237000  0.14688500  0.75017400  1
  Mn  Mn10  1  0.33336400  0.15647900  0.25023200  1
  Mn  Mn11  1  0.65505000  0.14336700  0.41664000  1
  Mn  Mn12  1  0.65625800  0.15664600  0.91641400  1
  Mn  Mn13  1  0.99186600  0.15012000  0.08331400  1
  Mn  Mn14  1  0.98939400  0.15641900  0.58309300  1
  Mn  Mn15  1  0.67805800  0.51833200  0.32892700  1
  Mn  Mn16  1  0.67242900  0.51694000  0.83779100  1
  Mn  Mn17  1  0.00498400  0.51870900  0.99560600  1
  Mn  Mn18  1  0.00655300  0.51753600  0.50429900  1
  Mn  Mn19  1  0.33815900  0.51835400  0.66244600  1
  Mn  Mn20  1  0.99710900  0.82719900  0.41664800  1
  Mn  Mn21  1  0.34704200  0.51779900  0.17093200  1
  Mn  Mn22  1  0.33236800  0.83070900  0.08333800  1
  Mn  Mn23  1  0.66450500  0.82987200  0.74972800  1
  Ni  Ni24  1  0.65780600  0.48263500  0.08326800  1
  Ni  Ni25  1  0.67257800  0.51183700  0.58315500  1
  Ni  Ni26  1  0.99292000  0.49026000  0.74994700  1
  Ni  Ni27  1  0.00568100  0.51186200  0.25022300  1
  Ni  Ni28  1  0.33173900  0.49736800  0.41667100  1
  Ni  Ni29  1  0.33907300  0.51181200  0.91646900  1
  O  O30  1  0.32845800  0.14989800  0.38200200  1
  O  O31  1  0.30926500  0.14282700  0.11892800  1
  O  O32  1  0.31274900  0.19667000  0.62406400  1
  O  O33  1  0.36833800  0.20838500  0.87623000  1
  O  O34  1  0.66640400  0.14193000  0.04781900  1
  O  O35  1  0.66132800  0.15087200  0.78527400  1
  O  O36  1  0.67382700  0.20851600  0.29040800  1
  O  O37  1  0.70168400  0.20859600  0.54295500  1
  O  O38  1  0.00412100  0.14260800  0.71483100  1
  O  O39  1  0.63970700  0.49428200  0.21014400  1
  O  O40  1  0.68855300  0.49580000  0.95666600  1
  O  O41  1  0.65043800  0.52766800  0.70878400  1
  O  O42  1  0.98837600  0.15099800  0.45141400  1
  O  O43  1  0.97942000  0.19683800  0.95734100  1
  O  O44  1  0.69959900  0.49895500  0.45607700  1
  O  O45  1  0.05097800  0.19720000  0.20933300  1
  O  O46  1  0.95898200  0.46868600  0.87593000  1
  O  O47  1  0.02231900  0.49483500  0.62339000  1
  O  O48  1  0.96673800  0.49972000  0.37713400  1
  O  O49  1  0.04277000  0.51741900  0.12318700  1
  O  O50  1  0.29141700  0.46807100  0.54258000  1
  O  O51  1  0.95943600  0.81066800  0.79065000  1
  O  O52  1  0.99718200  0.80577400  0.04456000  1
  O  O53  1  0.34369100  0.46917000  0.29093700  1
  O  O54  1  0.30881000  0.51768600  0.04337700  1
  O  O55  1  0.01440500  0.85380100  0.54639700  1
  O  O56  1  0.00628200  0.85446900  0.28700200  1
  O  O57  1  0.36438200  0.48872100  0.78821300  1
  O  O58  1  0.32909500  0.81252900  0.71182300  1
  O  O59  1  0.30113300  0.81702600  0.45686200  1
  O  O60  1  0.35105500  0.84124400  0.95384800  1
  O  O61  1  0.32270700  0.84024600  0.21288200  1
  O  O62  1  0.68196500  0.81754400  0.37671900  1
  O  O63  1  0.64144900  0.80515900  0.12233200  1
  O  O64  1  0.68003700  0.85378700  0.87967900  1
  O  O65  1  0.68355500  0.84086300  0.62038900  1
