# generated using pymatgen
data_LiNi3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87265861
_cell_length_b   5.91381788
_cell_length_c   5.91183756
_cell_angle_alpha   120.27542004
_cell_angle_beta   90.50892474
_cell_angle_gamma   59.93715172
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNi3O4
_chemical_formula_sum   'Li2 Ni6 O8'
_cell_volume   145.07695750
_cell_formula_units_Z   2
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  0.50003300  0.50002700  0.50000100  1
  Li  Li1  1  0.99995200  0.50000400  0.50002000  1
  Ni  Ni2  1  0.00000500  0.49994300  0.99995600  1
  Ni  Ni3  1  0.50006400  0.99997200  0.00001400  1
  Ni  Ni4  1  0.49995500  0.00010500  0.50003700  1
  Ni  Ni5  1  0.49996700  0.50001900  0.99997700  1
  Ni  Ni6  1  0.00010800  0.99986500  0.99994000  1
  Ni  Ni7  1  0.00003200  0.00002200  0.50006200  1
  O  O8  1  0.27540800  0.49965700  0.76257000  1
  O  O9  1  0.75219300  0.50075100  0.77913100  1
  O  O10  1  0.72449600  0.50033000  0.23734300  1
  O  O11  1  0.24776600  0.49925500  0.22081400  1
  O  O12  1  0.75323300  0.99423600  0.74725500  1
  O  O13  1  0.23139300  0.03777400  0.76910700  1
  O  O14  1  0.24678400  0.00578100  0.25275300  1
  O  O15  1  0.76861100  0.96225900  0.23101800  1
