# generated using pymatgen
data_Li23Ni17O40
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98045154
_cell_length_b   50.18205682
_cell_length_c   14.50804015
_cell_angle_alpha   22.39422107
_cell_angle_beta   29.53715686
_cell_angle_gamma   33.08559101
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li23Ni17O40
_chemical_formula_sum   'Li23 Ni17 O40'
_cell_volume   670.14456673
_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  0.50071900  0.02485500  0.24920600  1.0
  Li  Li1  1  0.50280300  0.12598700  0.24514900  1.0
  Li  Li2  1  0.49928100  0.07514500  0.75079400  1.0
  Li  Li3  1  0.49031700  0.22592500  0.25210100  1.0
  Li  Li4  1  0.00029200  0.25032000  0.49886800  1.0
  Li  Li5  1  0.49824100  0.17757400  0.74251600  1.0
  Li  Li6  1  0.50049900  0.32286100  0.25694600  1.0
  Li  Li7  1  0.50724000  0.27454500  0.74645600  1.0
  Li  Li8  1  0.50327500  0.42530300  0.24569600  1.0
  Li  Li9  1  0.49602300  0.37484300  0.75419700  1.0
  Li  Li10  1  0.49288600  0.52584700  0.25207300  1.0
  Li  Li11  1  0.50018000  0.47719600  0.74242900  1.0
  Li  Li12  1  0.49982000  0.62280400  0.25757100  1.0
  Li  Li13  1  0.00000000  0.55000000  0.50000000  1.0
  Li  Li14  1  0.50711400  0.57415300  0.74792700  1.0
  Li  Li15  1  0.50397700  0.72515700  0.24580300  1.0
  Li  Li16  1  0.49672500  0.67469700  0.75430400  1.0
  Li  Li17  1  0.49276000  0.82545500  0.25354400  1.0
  Li  Li18  1  0.99970800  0.84968000  0.50113200  1.0
  Li  Li19  1  0.49950100  0.77713900  0.74305400  1.0
  Li  Li20  1  0.50175900  0.92242600  0.25748400  1.0
  Li  Li21  1  0.50968300  0.87407500  0.74789900  1.0
  Li  Li22  1  0.49719700  0.97401300  0.75485100  1.0
  Ni  Ni23  1  0.00281200  0.99979800  0.00081700  1.0
  Ni  Ni24  1  0.99718800  0.10020200  0.99918300  1.0
  Ni  Ni25  1  0.00000000  0.05000000  0.50000000  1.0
  Ni  Ni26  1  0.99704400  0.19983800  0.99971700  1.0
  Ni  Ni27  1  0.00095000  0.15043600  0.49838300  1.0
  Ni  Ni28  1  0.00006200  0.40013800  0.99956000  1.0
  Ni  Ni29  1  0.99803400  0.29986400  0.00313500  1.0
  Ni  Ni30  1  0.00355300  0.34993100  0.49811900  1.0
  Ni  Ni31  1  0.99881800  0.50024000  0.99759000  1.0
  Ni  Ni32  1  0.99993800  0.69986200  0.00044000  1.0
  Ni  Ni33  1  0.99680500  0.45041000  0.50062400  1.0
  Ni  Ni34  1  0.00118200  0.59976000  0.00241000  1.0
  Ni  Ni35  1  0.00196600  0.80013600  0.99686500  1.0
  Ni  Ni36  1  0.00319500  0.64959000  0.49937600  1.0
  Ni  Ni37  1  0.99644700  0.75006900  0.50188100  1.0
  Ni  Ni38  1  0.00295600  0.90016200  0.00028300  1.0
  Ni  Ni39  1  0.99905000  0.94956400  0.50161700  1.0
  O  O40  1  0.24621400  0.01506200  0.12611100  1.0
  O  O41  1  0.27011200  0.11498300  0.11302200  1.0
  O  O42  1  0.76438700  0.03660500  0.36392000  1.0
  O  O43  1  0.23561300  0.06339500  0.63608000  1.0
  O  O44  1  0.27757800  0.21071900  0.12812700  1.0
  O  O45  1  0.72679000  0.13966700  0.36496300  1.0
  O  O46  1  0.27664800  0.31813000  0.10794100  1.0
  O  O47  1  0.28776600  0.15808300  0.63601600  1.0
  O  O48  1  0.75378600  0.08493800  0.87388900  1.0
  O  O49  1  0.78099300  0.23507900  0.36610100  1.0
  O  O50  1  0.30294100  0.41142300  0.11709000  1.0
  O  O51  1  0.21295400  0.26443800  0.63785800  1.0
  O  O52  1  0.72524200  0.34295000  0.35499000  1.0
  O  O53  1  0.71552300  0.18233700  0.89431100  1.0
  O  O54  1  0.26115500  0.36358400  0.62930300  1.0
  O  O55  1  0.27980400  0.51165400  0.12367200  1.0
  O  O56  1  0.73823600  0.43648100  0.37058100  1.0
  O  O57  1  0.72286300  0.28713700  0.87876700  1.0
  O  O58  1  0.27818900  0.61789700  0.10829500  1.0
  O  O59  1  0.27599800  0.45716000  0.64438700  1.0
  O  O60  1  0.78568200  0.53534900  0.36371100  1.0
  O  O61  1  0.69769600  0.38935000  0.88026600  1.0
  O  O62  1  0.21431800  0.56465100  0.63628900  1.0
  O  O63  1  0.30230400  0.71065000  0.11973400  1.0
  O  O64  1  0.72181100  0.48210300  0.89170500  1.0
  O  O65  1  0.72400200  0.64284000  0.35561300  1.0
  O  O66  1  0.26176400  0.66351900  0.62941900  1.0
  O  O67  1  0.27713700  0.81286300  0.12123300  1.0
  O  O68  1  0.73884500  0.73641600  0.37069700  1.0
  O  O69  1  0.72019600  0.58834600  0.87632800  1.0
  O  O70  1  0.27475800  0.75705000  0.64501000  1.0
  O  O71  1  0.28447700  0.91766300  0.10568900  1.0
  O  O72  1  0.69705900  0.68857700  0.88291000  1.0
  O  O73  1  0.78704600  0.83556200  0.36214200  1.0
  O  O74  1  0.21900700  0.86492100  0.63389900  1.0
  O  O75  1  0.72335200  0.78187000  0.89205900  1.0
  O  O76  1  0.71223400  0.94191700  0.36398400  1.0
  O  O77  1  0.27321000  0.96033300  0.63503700  1.0
  O  O78  1  0.72242200  0.88928100  0.87187300  1.0
  O  O79  1  0.72988800  0.98501700  0.88697800  1.0