# generated using pymatgen
data_Li3NbNi3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87155138
_cell_length_b   5.88269194
_cell_length_c   8.62539281
_cell_angle_alpha   90.41319205
_cell_angle_beta   90.00137654
_cell_angle_gamma   89.99808542
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3NbNi3O8
_chemical_formula_sum   'Li6 Nb2 Ni6 O16'
_cell_volume   297.91787445
_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  0.50000200  0.49999200  0.00001000  1
  Li  Li1  1  0.00000200  0.99998500  0.50001400  1
  Li  Li2  1  0.24996800  0.25003600  0.75001500  1
  Li  Li3  1  0.74998200  0.75003300  0.25001400  1
  Li  Li4  1  0.75003500  0.25003700  0.75001500  1
  Li  Li5  1  0.25002300  0.75003400  0.25001300  1
  Nb  Nb6  1  0.99999900  0.00016300  0.00000400  1
  Nb  Nb7  1  0.50000000  0.50016400  0.49999900  1
  Ni  Ni8  1  0.00000000  0.49992000  0.49997600  1
  Ni  Ni9  1  0.74998300  0.75001300  0.75008200  1
  Ni  Ni10  1  0.25002200  0.75001100  0.75008400  1
  Ni  Ni11  1  0.50000000  0.99992900  0.99998900  1
  Ni  Ni12  1  0.24998100  0.25001400  0.25008300  1
  Ni  Ni13  1  0.75002500  0.25001200  0.25008500  1
  O  O14  1  0.50000600  0.50050600  0.26778200  1
  O  O15  1  0.00000600  0.00050900  0.76778300  1
  O  O16  1  0.49999800  0.49933100  0.73220100  1
  O  O17  1  0.99996600  0.99939700  0.23221900  1
  O  O18  1  0.00000200  0.48727500  0.28019000  1
  O  O19  1  0.50000100  0.98746200  0.78024300  1
  O  O20  1  0.00000200  0.51261700  0.71971700  1
  O  O21  1  0.50000200  0.01261900  0.21971600  1
  O  O22  1  0.26456100  0.22500000  0.00139500  1
  O  O23  1  0.76456600  0.72499800  0.50139100  1
  O  O24  1  0.73543900  0.22499900  0.00139200  1
  O  O25  1  0.23543300  0.72499600  0.50138800  1
  O  O26  1  0.26459400  0.77498900  0.99860200  1
  O  O27  1  0.76461200  0.27498200  0.49854900  1
  O  O28  1  0.73539600  0.77497900  0.99855000  1
  O  O29  1  0.23539400  0.27498000  0.49854600  1
