# generated using pymatgen
data_LiNiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73613994
_cell_length_b   8.27492813
_cell_length_c   5.76353982
_cell_angle_alpha   89.82659931
_cell_angle_beta   90.02340713
_cell_angle_gamma   90.00359430
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNiO2
_chemical_formula_sum   'Li8 Ni8 O16'
_cell_volume   273.57174506
_cell_formula_units_Z   8
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  0.49922600  0.00006100  0.99998200  1
  Li  Li1  1  0.00115500  0.49996500  0.49996900  1
  Li  Li2  1  0.49883600  0.49995300  0.99997600  1
  Li  Li3  1  0.00049000  0.00003500  0.50003200  1
  Li  Li4  1  0.74936200  0.24811800  0.25063200  1
  Li  Li5  1  0.25045700  0.75214900  0.74966900  1
  Li  Li6  1  0.25054500  0.24784600  0.25034300  1
  Li  Li7  1  0.74941100  0.75188900  0.74939500  1
  Ni  Ni8  1  0.50073200  0.00001000  0.50001000  1
  Ni  Ni9  1  0.50092400  0.49997700  0.49989200  1
  Ni  Ni10  1  0.99946400  0.00005200  0.00009800  1
  Ni  Ni11  1  0.99886900  0.49996300  0.99995900  1
  Ni  Ni12  1  0.74998900  0.74966000  0.24984400  1
  Ni  Ni13  1  0.25036600  0.24970300  0.74961300  1
  Ni  Ni14  1  0.25039000  0.75027100  0.25045000  1
  Ni  Ni15  1  0.74996500  0.25033000  0.75018400  1
  O  O16  1  0.50166200  0.75015200  0.03032700  1
  O  O17  1  0.99853200  0.25014100  0.53044000  1
  O  O18  1  0.50136100  0.24986000  0.96967200  1
  O  O19  1  0.99832000  0.74986100  0.46958300  1
  O  O20  1  0.52362700  0.24848900  0.51026800  1
  O  O21  1  0.97679500  0.74526600  0.00877700  1
  O  O22  1  0.52343700  0.75148900  0.48974600  1
  O  O23  1  0.97641900  0.25476100  0.99121500  1
  O  O24  1  0.25335900  0.51327100  0.25341000  1
  O  O25  1  0.75471300  0.02263800  0.75556500  1
  O  O26  1  0.74674400  0.52105800  0.25331300  1
  O  O27  1  0.24491100  0.01412600  0.75532800  1
  O  O28  1  0.74660900  0.47901200  0.74649900  1
  O  O29  1  0.24515000  0.98599800  0.24491000  1
  O  O30  1  0.25328500  0.48650700  0.74660100  1
  O  O31  1  0.75489400  0.97738700  0.24430000  1
