# generated using pymatgen
data_Li2NbOF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03347816
_cell_length_b   5.03347816
_cell_length_c   13.95468400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000208
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2NbOF5
_chemical_formula_sum   'Li6 Nb3 O3 F15'
_cell_volume   306.18718209
_cell_formula_units_Z   3
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  0.01233400  0.00655600  0.16791300  1
  Li  Li1  1  0.99344400  0.00577800  0.50124700  1
  Li  Li2  1  0.99422200  0.98766600  0.83458000  1
  Li  Li3  1  0.33606400  0.67036700  0.50120300  1
  Li  Li4  1  0.33430400  0.66393600  0.16787000  1
  Li  Li5  1  0.32963300  0.66569600  0.83453700  1
  Nb  Nb6  1  0.64122200  0.30889600  0.00599600  1
  Nb  Nb7  1  0.69110400  0.33232600  0.33933000  1
  Nb  Nb8  1  0.66767400  0.35877800  0.67266300  1
  O  O9  1  0.66517600  0.64320500  0.74798600  1
  O  O10  1  0.97802900  0.33482400  0.41465200  1
  O  O11  1  0.35679500  0.02197100  0.08131900  1
  F  F12  1  0.66357300  0.01072500  0.24893800  1
  F  F13  1  0.67201400  0.01702700  0.91533200  1
  F  F14  1  0.66468600  0.01039700  0.58223100  1
  F  F15  1  0.66223200  0.65478600  0.41549700  1
  F  F16  1  0.67239600  0.66108700  0.08154000  1
  F  F17  1  0.98927500  0.65284800  0.58227100  1
  F  F18  1  0.98297300  0.65498700  0.24866600  1
  F  F19  1  0.98960300  0.65428900  0.91556400  1
  F  F20  1  0.99255400  0.33776800  0.08216400  1
  F  F21  1  0.98869100  0.32760400  0.74820600  1
  F  F22  1  0.33891300  0.01130900  0.41487300  1
  F  F23  1  0.34521400  0.00744600  0.74883000  1
  F  F24  1  0.34571100  0.33531400  0.24889700  1
  F  F25  1  0.34501300  0.32798600  0.58199900  1
  F  F26  1  0.34715200  0.33642700  0.91560500  1
