# generated using pymatgen
data_Li8Mn12Ni4O31
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.15160408
_cell_length_b   8.12473231
_cell_length_c   8.13954558
_cell_angle_alpha   90.16294940
_cell_angle_beta   89.87840433
_cell_angle_gamma   90.01410390
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li8Mn12Ni4O31
_chemical_formula_sum   'Li8 Mn12 Ni4 O31'
_cell_volume   539.07544659
_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  0.99865542  0.00189551  0.00619902  1
  Li  Li1  1  0.26446338  0.26027781  0.23040909  1
  Li  Li2  1  0.25372704  0.75020266  0.74734232  1
  Li  Li3  1  0.49652968  0.99676229  0.50289536  1
  Li  Li4  1  0.50293803  0.49941939  0.99592835  1
  Li  Li5  1  0.74836842  0.25172430  0.75157536  1
  Li  Li6  1  0.75227270  0.74745005  0.25346805  1
  Li  Li7  1  0.99669693  0.50276774  0.49724731  1
  Mn  Mn8  1  0.12741070  0.62749381  0.12368224  1
  Mn  Mn9  1  0.12441995  0.37877425  0.87247506  1
  Mn  Mn10  1  0.12261377  0.12316495  0.63349357  1
  Mn  Mn11  1  0.37798338  0.87246325  0.12526836  1
  Mn  Mn12  1  0.37416157  0.62315268  0.37243860  1
  Mn  Mn13  1  0.37062057  0.37380225  0.62079196  1
  Mn  Mn14  1  0.62901031  0.87495151  0.87822771  1
  Mn  Mn15  1  0.62519148  0.12255451  0.12937320  1
  Mn  Mn16  1  0.62057901  0.37005741  0.37449859  1
  Mn  Mn17  1  0.87855367  0.62825229  0.87572208  1
  Mn  Mn18  1  0.87563381  0.87631366  0.62824602  1
  Mn  Mn19  1  0.87344910  0.12337033  0.38067015  1
  Ni  Ni20  1  0.12263895  0.87930045  0.37949845  1
  Ni  Ni21  1  0.37771927  0.12229417  0.87178492  1
  Ni  Ni22  1  0.62738682  0.62231541  0.62272770  1
  Ni  Ni23  1  0.87216073  0.37761512  0.12748884  1
  O  O24  1  0.10997941  0.89569471  0.62433992  1
  O  O25  1  0.11519819  0.61516282  0.88580228  1
  O  O26  1  0.12489007  0.14753940  0.86374789  1
  O  O27  1  0.12455244  0.39329964  0.10278703  1
  O  O28  1  0.13418390  0.36091180  0.63340070  1
  O  O29  1  0.14161128  0.62403650  0.35251027  1
  O  O30  1  0.14740683  0.86091424  0.12783634  1
  O  O31  1  0.35092103  0.14033042  0.62054346  1
  O  O32  1  0.35696174  0.37458311  0.85121789  1
  O  O33  1  0.36378272  0.63576532  0.13552853  1
  O  O34  1  0.37464263  0.60722815  0.60236028  1
  O  O35  1  0.37253499  0.85438635  0.35819014  1
  O  O36  1  0.38280286  0.38596874  0.38462092  1
  O  O37  1  0.39120706  0.10231267  0.12155387  1
  O  O38  1  0.39872005  0.87220911  0.89176170  1
  O  O39  1  0.60049806  0.37222484  0.60737558  1
  O  O40  1  0.60646028  0.60276626  0.37385611  1
  O  O41  1  0.61417791  0.88481566  0.11509541  1
  O  O42  1  0.62246373  0.35346418  0.14137261  1
  O  O43  1  0.62708994  0.10700976  0.89671337  1
  O  O44  1  0.61958057  0.13714241  0.36165050  1
  O  O45  1  0.64419118  0.87516662  0.64726261  1
  O  O46  1  0.64928266  0.64144745  0.87484923  1
  O  O47  1  0.85133711  0.35747678  0.37743477  1
  O  O48  1  0.85714156  0.12536847  0.14856525  1
  O  O49  1  0.86566420  0.86501985  0.86507029  1
  O  O50  1  0.87844414  0.88949883  0.39867954  1
  O  O51  1  0.87716007  0.64643827  0.64285940  1
  O  O52  1  0.89140121  0.11415852  0.61507105  1
  O  O53  1  0.89251207  0.39780026  0.87539877  1
  O  O54  1  0.89778244  0.62804408  0.10845995  1
