# generated using pymatgen
data_LiNb(OF)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11491000
_cell_length_b   7.49163600
_cell_length_c   7.85124174
_cell_angle_alpha   77.52615867
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNb(OF)2
_chemical_formula_sum   'Li4 Nb4 O8 F8'
_cell_volume   293.75038009
_cell_formula_units_Z   4
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  0.26862400  0.35406600  0.37192900  1
  Li  Li1  1  0.23137600  0.85406600  0.37192900  1
  Li  Li2  1  0.76862400  0.14593400  0.62807100  1
  Li  Li3  1  0.73137600  0.64593400  0.62807100  1
  Nb  Nb4  1  0.76333400  0.17331700  0.16813900  1
  Nb  Nb5  1  0.73666600  0.67331700  0.16813900  1
  Nb  Nb6  1  0.26333400  0.32668300  0.83186100  1
  Nb  Nb7  1  0.23666600  0.82668300  0.83186100  1
  O  O8  1  0.06007600  0.30250700  0.04101100  1
  O  O9  1  0.43992400  0.80250700  0.04101100  1
  O  O10  1  0.61276100  0.43699700  0.20154200  1
  O  O11  1  0.88723900  0.93699700  0.20154200  1
  O  O12  1  0.11276100  0.06300300  0.79845800  1
  O  O13  1  0.38723900  0.56300300  0.79845800  1
  O  O14  1  0.56007600  0.19749300  0.95898900  1
  O  O15  1  0.93992400  0.69749300  0.95898900  1
  F  F16  1  0.43710700  0.09246600  0.31455500  1
  F  F17  1  0.93739500  0.20076900  0.40050200  1
  F  F18  1  0.06289300  0.59246600  0.31455500  1
  F  F19  1  0.56260500  0.70076900  0.40050200  1
  F  F20  1  0.43739500  0.29923100  0.59949800  1
  F  F21  1  0.93710700  0.40753400  0.68544500  1
  F  F22  1  0.06260500  0.79923100  0.59949800  1
  F  F23  1  0.56289300  0.90753400  0.68544500  1
