# generated using pymatgen
data_Li6NiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.02271877
_cell_length_b   8.14720143
_cell_length_c   8.02135627
_cell_angle_alpha   109.46384836
_cell_angle_beta   108.82614448
_cell_angle_gamma   109.48287074
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6NiO4
_chemical_formula_sum   'Li24 Ni4 O16'
_cell_volume   406.75196471
_cell_formula_units_Z   4
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  0.34950300  0.24999200  0.59951200  1
  Li  Li1  1  0.84952400  0.25006000  0.09948900  1
  Li  Li2  1  0.15048100  0.74999200  0.90052300  1
  Li  Li3  1  0.65046600  0.75000600  0.40051900  1
  Li  Li4  1  0.09963300  0.25009700  0.34965900  1
  Li  Li5  1  0.59960700  0.24996300  0.84955100  1
  Li  Li6  1  0.40038000  0.75005100  0.15045100  1
  Li  Li7  1  0.90032300  0.74994100  0.65036500  1
  Li  Li8  1  0.12368500  0.03207200  0.65590700  1
  Li  Li9  1  0.62365300  0.03204400  0.15589400  1
  Li  Li10  1  0.90516200  0.03116900  0.87393300  1
  Li  Li11  1  0.40526000  0.03121300  0.37402200  1
  Li  Li12  1  0.34282100  0.46888100  0.87404300  1
  Li  Li13  1  0.84280100  0.46883400  0.37405200  1
  Li  Li14  1  0.12379800  0.46800500  0.09169000  1
  Li  Li15  1  0.62382200  0.46795900  0.59163800  1
  Li  Li16  1  0.37581800  0.53092000  0.40693700  1
  Li  Li17  1  0.87587200  0.53080500  0.90684700  1
  Li  Li18  1  0.15863600  0.53242100  0.62610700  1
  Li  Li19  1  0.65847400  0.53223100  0.12610800  1
  Li  Li20  1  0.59381400  0.96776500  0.62625000  1
  Li  Li21  1  0.09384300  0.96776900  0.12630500  1
  Li  Li22  1  0.37602000  0.96907300  0.84490500  1
  Li  Li23  1  0.87599100  0.96907500  0.34495600  1
  Ni  Ni24  1  0.36821200  0.25001400  0.11820300  1
  Ni  Ni25  1  0.63215500  0.74998500  0.88223100  1
  Ni  Ni26  1  0.86840000  0.25003800  0.61816200  1
  Ni  Ni27  1  0.13168600  0.75004800  0.38183900  1
  O  O28  1  0.36355500  0.01724800  0.61390100  1
  O  O29  1  0.86356800  0.01728300  0.11395900  1
  O  O30  1  0.59701700  0.48330700  0.84642900  1
  O  O31  1  0.09703900  0.48349500  0.34656000  1
  O  O32  1  0.90350500  0.51654700  0.65296200  1
  O  O33  1  0.40341200  0.51654600  0.15293300  1
  O  O34  1  0.13606700  0.98275000  0.88641100  1
  O  O35  1  0.63614600  0.98281600  0.38648300  1
  O  O36  1  0.35048300  0.24913800  0.36084100  1
  O  O37  1  0.85054900  0.24919500  0.86059300  1
  O  O38  1  0.11180900  0.25075100  0.60162600  1
  O  O39  1  0.61178100  0.25079500  0.10163200  1
  O  O40  1  0.14820300  0.74895300  0.13831900  1
  O  O41  1  0.64828400  0.74873800  0.63828800  1
  O  O42  1  0.38944700  0.75122200  0.89971300  1
  O  O43  1  0.88928800  0.75114800  0.39961200  1
