# generated using pymatgen
data_LiNbNiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.05114300
_cell_length_b   8.64503955
_cell_length_c   6.19525498
_cell_angle_alpha   89.99906373
_cell_angle_beta   89.99994360
_cell_angle_gamma   89.99997145
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNbNiO4
_chemical_formula_sum   'Li4 Nb4 Ni4 O16'
_cell_volume   324.08847429
_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  0.25000200  0.11113300  0.00000700  1
  Li  Li1  1  0.75000200  0.61111600  0.50000600  1
  Li  Li2  1  0.75000200  0.88886700  0.00001000  1
  Li  Li3  1  0.25000200  0.38888800  0.50000900  1
  Nb  Nb4  1  0.75000200  0.25000300  0.24998400  1
  Nb  Nb5  1  0.25000200  0.74998700  0.75004700  1
  Nb  Nb6  1  0.75000800  0.24999000  0.75003700  1
  Nb  Nb7  1  0.25000600  0.74997100  0.24997500  1
  Ni  Ni8  1  0.00005400  0.00000700  0.49995900  1
  Ni  Ni9  1  0.49994000  0.00002300  0.49998900  1
  Ni  Ni10  1  0.50013100  0.49994300  0.99994600  1
  Ni  Ni11  1  0.99982700  0.50000700  0.99992300  1
  O  O12  1  0.52690400  0.24865000  0.00000900  1
  O  O13  1  0.02689500  0.74871200  0.50001000  1
  O  O14  1  0.97309800  0.24865100  0.00000800  1
  O  O15  1  0.47310800  0.74871200  0.50001000  1
  O  O16  1  0.02689600  0.75135500  0.00000800  1
  O  O17  1  0.52689700  0.25129500  0.50000900  1
  O  O18  1  0.47310500  0.75135300  0.00000700  1
  O  O19  1  0.97310800  0.25129500  0.50000900  1
  O  O20  1  0.75000200  0.47847600  0.22875900  1
  O  O21  1  0.25000100  0.97854400  0.72873000  1
  O  O22  1  0.75000100  0.47848100  0.77123400  1
  O  O23  1  0.25000300  0.97854600  0.27126900  1
  O  O24  1  0.25000100  0.52152700  0.77126100  1
  O  O25  1  0.75000200  0.02146600  0.27128600  1
  O  O26  1  0.25000000  0.52153200  0.22876000  1
  O  O27  1  0.75000200  0.02147100  0.72874000  1
