# generated using pymatgen
data_Li3Nb(NiO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96849600
_cell_length_b   5.96790159
_cell_length_c   5.97577415
_cell_angle_alpha   88.89278859
_cell_angle_beta   119.40810863
_cell_angle_gamma   60.71838540
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Nb(NiO2)4
_chemical_formula_sum   'Li3 Nb1 Ni4 O8'
_cell_volume   152.01020397
_cell_formula_units_Z   1
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  0.50000100  0.00000000  0.50000100  1
  Li  Li1  1  0.00000000  0.50000000  0.00000100  1
  Li  Li2  1  0.50000100  0.00000000  0.00000000  1
  Nb  Nb3  1  0.50000100  0.50000100  0.00000100  1
  Ni  Ni4  1  0.99999900  0.49999900  0.49999900  1
  Ni  Ni5  1  0.49999600  0.49999900  0.49999800  1
  Ni  Ni6  1  0.00000000  0.00000200  0.00000000  1
  Ni  Ni7  1  0.00000000  0.00000100  0.49999900  1
  O  O8  1  0.50126300  0.26043200  0.24082300  1
  O  O9  1  0.49873800  0.73956800  0.75917700  1
  O  O10  1  0.01663600  0.75011000  0.26653900  1
  O  O11  1  0.98336300  0.24988900  0.73346200  1
  O  O12  1  0.49992200  0.25854400  0.76139100  1
  O  O13  1  0.01994500  0.73852100  0.76138800  1
  O  O14  1  0.50007900  0.74145600  0.23861000  1
  O  O15  1  0.98005600  0.26147900  0.23861300  1
