# generated using pymatgen
data_NaLiFePO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42327408
_cell_length_b   11.16342491
_cell_length_c   11.56239471
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLiFePO4F
_chemical_formula_sum   'Na8 Li8 Fe8 P8 O32 F8'
_cell_volume   829.09004421
_cell_formula_units_Z   8
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
  Na  Na0  1  0.99462734  0.27726823  0.84286609  1
  Na  Na1  1  0.50537266  0.77726823  0.65713391  1
  Na  Na2  1  0.49462734  0.72273177  0.15713391  1
  Na  Na3  1  0.00537266  0.22273177  0.34286609  1
  Na  Na4  1  0.00537266  0.72273177  0.15713391  1
  Na  Na5  1  0.49462734  0.22273177  0.34286609  1
  Na  Na6  1  0.50537266  0.27726823  0.84286609  1
  Na  Na7  1  0.99462734  0.77726823  0.65713391  1
  Li  Li8  1  0.75000000  0.23049903  0.08631807  1
  Li  Li9  1  0.75000000  0.73049903  0.41368193  1
  Li  Li10  1  0.25000000  0.76950097  0.91368193  1
  Li  Li11  1  0.25000000  0.26950097  0.58631807  1
  Li  Li12  1  0.75000000  0.05573981  0.73060410  1
  Li  Li13  1  0.75000000  0.55573981  0.76939590  1
  Li  Li14  1  0.25000000  0.94426019  0.26939590  1
  Li  Li15  1  0.25000000  0.44426019  0.23060410  1
  Fe  Fe16  1  0.00000000  0.50000000  0.50000000  1
  Fe  Fe17  1  0.50000000  0.00000000  0.00000000  1
  Fe  Fe18  1  0.50000000  0.50000000  0.50000000  1
  Fe  Fe19  1  0.00000000  -0.00000000  0.00000000  1
  Fe  Fe20  1  -0.00000000  0.50000000  0.00000000  1
  Fe  Fe21  1  0.50000000  -0.00000000  0.50000000  1
  Fe  Fe22  1  0.50000000  0.50000000  0.00000000  1
  Fe  Fe23  1  0.00000000  -0.00000000  0.50000000  1
  P  P24  1  0.75000000  0.45807486  0.24119497  1
  P  P25  1  0.75000000  0.95807486  0.25880503  1
  P  P26  1  0.25000000  0.54192514  0.75880503  1
  P  P27  1  0.25000000  0.04192514  0.74119497  1
  P  P28  1  0.75000000  0.25389362  0.57691706  1
  P  P29  1  0.75000000  0.75389362  0.92308294  1
  P  P30  1  0.25000000  0.74610638  0.42308294  1
  P  P31  1  0.25000000  0.24610638  0.07691706  1
  O  O32  1  0.94948810  0.31933917  0.53381111  1
  O  O33  1  0.55051190  0.81933917  0.96618889  1
  O  O34  1  0.44948810  0.68066083  0.46618889  1
  O  O35  1  0.05051190  0.18066083  0.03381111  1
  O  O36  1  0.05051190  0.68066083  0.46618889  1
  O  O37  1  0.44948810  0.18066083  0.03381111  1
  O  O38  1  0.55051190  0.31933917  0.53381111  1
  O  O39  1  0.94948810  0.81933917  0.96618889  1
  O  O40  1  0.75000000  0.23644808  0.70810471  1
  O  O41  1  0.75000000  0.73644808  0.79189529  1
  O  O42  1  0.25000000  0.76355192  0.29189529  1
  O  O43  1  0.25000000  0.26355192  0.20810471  1
  O  O44  1  0.75000000  0.31972794  0.23785745  1
  O  O45  1  0.75000000  0.81972794  0.26214255  1
  O  O46  1  0.25000000  0.68027206  0.76214255  1
  O  O47  1  0.25000000  0.18027206  0.73785745  1
  O  O48  1  0.75000000  0.12678545  0.51729060  1
  O  O49  1  0.75000000  0.62678545  0.98270940  1
  O  O50  1  0.25000000  0.87321455  0.48270940  1
  O  O51  1  0.25000000  0.37321455  0.01729060  1
  O  O52  1  0.75000000  0.00676810  0.13218484  1
  O  O53  1  0.75000000  0.50676810  0.36781516  1
  O  O54  1  0.25000000  0.99323190  0.86781516  1
  O  O55  1  0.25000000  0.49323190  0.63218484  1
  O  O56  1  0.45068535  0.49312045  0.82090319  1
  O  O57  1  0.04931465  0.99312045  0.67909681  1
  O  O58  1  0.95068535  0.50687955  0.17909681  1
  O  O59  1  0.54931465  0.00687955  0.32090319  1
  O  O60  1  0.54931465  0.50687955  0.17909681  1
  O  O61  1  0.95068535  0.00687955  0.32090319  1
  O  O62  1  0.04931465  0.49312045  0.82090319  1
  O  O63  1  0.45068535  0.99312045  0.67909681  1
  F  F64  1  0.75000000  0.36959986  0.96957324  1
  F  F65  1  0.75000000  0.86959986  0.53042676  1
  F  F66  1  0.25000000  0.63040014  0.03042676  1
  F  F67  1  0.25000000  0.13040014  0.46957324  1
  F  F68  1  0.75000000  0.06244945  0.89294309  1
  F  F69  1  0.75000000  0.56244945  0.60705691  1
  F  F70  1  0.25000000  0.93755055  0.10705691  1
  F  F71  1  0.25000000  0.43755055  0.39294309  1
