# generated using pymatgen
data_LiNbNiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06372000
_cell_length_b   6.06376000
_cell_length_c   8.59772300
_cell_angle_alpha   89.99997444
_cell_angle_beta   90.00006833
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNbNiO4
_chemical_formula_sum   'Li4 Nb4 Ni4 O16'
_cell_volume   316.12918509
_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  0.00000000  0.23450200  0.00000000  1
  Li  Li1  1  0.00000000  0.76549800  0.50000000  1
  Li  Li2  1  0.23450200  0.00000000  0.25000000  1
  Li  Li3  1  0.76549800  0.00000000  0.75000000  1
  Nb  Nb4  1  0.25467100  0.25467100  0.62499900  1
  Nb  Nb5  1  0.25467100  0.74532800  0.87499900  1
  Nb  Nb6  1  0.74532900  0.25467100  0.37500000  1
  Nb  Nb7  1  0.74532900  0.74532900  0.12500000  1
  Ni  Ni8  1  0.24356600  0.50000000  0.24999800  1
  Ni  Ni9  1  0.49999900  0.24357200  0.00000000  1
  Ni  Ni10  1  0.50000400  0.75642900  0.50000000  1
  Ni  Ni11  1  0.75643200  0.49999800  0.75000000  1
  O  O12  1  0.00213300  0.25711200  0.25411600  1
  O  O13  1  0.00213100  0.74288800  0.24588500  1
  O  O14  1  0.25711300  0.00212900  0.99588500  1
  O  O15  1  0.25711300  0.99787000  0.50411600  1
  O  O16  1  0.25749400  0.49374200  0.00726100  1
  O  O17  1  0.25749300  0.50625800  0.49273900  1
  O  O18  1  0.49374200  0.25749400  0.24273900  1
  O  O19  1  0.49374100  0.74250800  0.25726100  1
  O  O20  1  0.50625700  0.25749400  0.75726200  1
  O  O21  1  0.50625800  0.74250800  0.74273900  1
  O  O22  1  0.74250700  0.50625700  0.50726200  1
  O  O23  1  0.74250500  0.49374500  0.99273900  1
  O  O24  1  0.74288600  0.00213000  0.00411600  1
  O  O25  1  0.74288900  0.99786800  0.49588400  1
  O  O26  1  0.99786900  0.25711200  0.74588400  1
  O  O27  1  0.99786800  0.74288700  0.75411500  1
