# generated using pymatgen
data_Li2NbOF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03331887
_cell_length_b   5.03331887
_cell_length_c   4.65150828
_cell_angle_alpha   89.64789919
_cell_angle_beta   89.64789919
_cell_angle_gamma   119.90072079
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2NbOF5
_chemical_formula_sum   'Li2 Nb1 O1 F5'
_cell_volume   102.14902230
_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  0.66413000  0.34215100  0.49651200  1
  Li  Li1  1  0.34215100  0.66413000  0.49651200  1
  Nb  Nb2  1  0.02477800  0.02477800  0.98151100  1
  O  O3  1  0.31157700  0.31157700  0.75348500  1
  F  F4  1  0.67760400  0.67760400  0.25472200  1
  F  F5  1  0.99662700  0.67447900  0.75595100  1
  F  F6  1  0.31583400  0.99279700  0.25267400  1
  F  F7  1  0.99279700  0.31583400  0.25267400  1
  F  F8  1  0.67447900  0.99662700  0.75595100  1
