# generated using pymatgen
data_LiNb2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97299900
_cell_length_b   5.16517600
_cell_length_c   10.72680000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNb2O4
_chemical_formula_sum   'Li2 Nb4 O8'
_cell_volume   164.72141748
_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  0.50000000  0.50000000  0.50000000  1
  Li  Li1  1  0.00000000  0.00000000  0.00000000  1
  Nb  Nb2  1  0.50000000  0.83646000  0.74304200  1
  Nb  Nb3  1  0.50000000  0.16354000  0.25695800  1
  Nb  Nb4  1  0.00000000  0.66354000  0.24304200  1
  Nb  Nb5  1  0.00000000  0.33646000  0.75695800  1
  O  O6  1  0.50000000  0.84471800  0.13018700  1
  O  O7  1  0.50000000  0.15528200  0.86981300  1
  O  O8  1  0.50000000  0.81814100  0.36218500  1
  O  O9  1  0.50000000  0.18185900  0.63781500  1
  O  O10  1  0.00000000  0.68185900  0.86218500  1
  O  O11  1  0.00000000  0.31814100  0.13781500  1
  O  O12  1  0.00000000  0.65528200  0.63018700  1
  O  O13  1  0.00000000  0.34471800  0.36981300  1
