# generated using pymatgen
data_Na3Li3Fe2F12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.90553748
_cell_length_b   10.90553748
_cell_length_c   10.90553748
_cell_angle_alpha   109.47122063
_cell_angle_beta   109.47122063
_cell_angle_gamma   109.47122063
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3Li3Fe2F12
_chemical_formula_sum   'Na12 Li12 Fe8 F48'
_cell_volume   998.43393459
_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
  Na  Na0  1  0.62500000  0.87500000  0.75000000  1
  Na  Na1  1  0.87500000  0.62500000  0.25000000  1
  Na  Na2  1  0.62500000  0.25000000  0.87500000  1
  Na  Na3  1  0.25000000  0.87500000  0.62500000  1
  Na  Na4  1  0.75000000  0.62500000  0.87500000  1
  Na  Na5  1  0.87500000  0.75000000  0.62500000  1
  Na  Na6  1  0.37500000  0.12500000  0.25000000  1
  Na  Na7  1  0.12500000  0.37500000  0.75000000  1
  Na  Na8  1  0.37500000  0.75000000  0.12500000  1
  Na  Na9  1  0.75000000  0.12500000  0.37500000  1
  Na  Na10  1  0.12500000  0.25000000  0.37500000  1
  Na  Na11  1  0.25000000  0.37500000  0.12500000  1
  Li  Li12  1  0.25000000  0.62500000  0.37500000  1
  Li  Li13  1  0.87500000  0.25000000  0.12500000  1
  Li  Li14  1  0.12500000  0.75000000  0.87500000  1
  Li  Li15  1  0.87500000  0.12500000  0.75000000  1
  Li  Li16  1  0.62500000  0.37500000  0.25000000  1
  Li  Li17  1  0.75000000  0.87500000  0.12500000  1
  Li  Li18  1  0.12500000  0.87500000  0.25000000  1
  Li  Li19  1  0.37500000  0.62500000  0.75000000  1
  Li  Li20  1  0.62500000  0.75000000  0.37500000  1
  Li  Li21  1  0.75000000  0.37500000  0.62500000  1
  Li  Li22  1  0.25000000  0.12500000  0.87500000  1
  Li  Li23  1  0.37500000  0.25000000  0.62500000  1
  Fe  Fe24  1  0.50000000  0.50000000  0.50000000  1
  Fe  Fe25  1  0.50000000  0.50000000  0.00000000  1
  Fe  Fe26  1  0.50000000  0.00000000  0.50000000  1
  Fe  Fe27  1  0.00000000  0.50000000  0.50000000  1
  Fe  Fe28  1  0.50000000  0.00000000  0.00000000  1
  Fe  Fe29  1  0.00000000  0.00000000  0.50000000  1
  Fe  Fe30  1  0.00000000  0.50000000  0.00000000  1
  Fe  Fe31  1  0.00000000  0.00000000  0.00000000  1
  F  F32  1  0.80688300  0.42324000  0.82527900  1
  F  F33  1  0.51839600  0.40203900  0.82527900  1
  F  F34  1  0.67472100  0.07676000  0.69311700  1
  F  F35  1  0.42324000  0.09796100  0.61635700  1
  F  F36  1  0.82527900  0.51839600  0.40203900  1
  F  F37  1  0.40203900  0.07676000  0.88364300  1
  F  F38  1  0.09796100  0.98160400  0.67472100  1
  F  F39  1  0.42324000  0.82527900  0.80688300  1
  F  F40  1  0.07676000  0.69311700  0.67472100  1
  F  F41  1  0.98160400  0.80688300  0.88364300  1
  F  F42  1  0.88364300  0.98160400  0.80688300  1
  F  F43  1  0.40203900  0.82527900  0.51839600  1
  F  F44  1  0.61635700  0.69311700  0.51839600  1
  F  F45  1  0.09796100  0.61635700  0.42324000  1
  F  F46  1  0.51839600  0.61635700  0.69311700  1
  F  F47  1  0.69311700  0.67472100  0.07676000  1
  F  F48  1  0.69311700  0.51839600  0.61635700  1
  F  F49  1  0.61635700  0.42324000  0.09796100  1
  F  F50  1  0.67472100  0.09796100  0.98160400  1
  F  F51  1  0.07676000  0.88364300  0.40203900  1
  F  F52  1  0.19311700  0.11635700  0.01839600  1
  F  F53  1  0.11635700  0.59796100  0.92324000  1
  F  F54  1  0.17472100  0.19311700  0.57676000  1
  F  F55  1  0.57676000  0.17472100  0.19311700  1
  F  F56  1  0.01839600  0.32527900  0.90203900  1
  F  F57  1  0.90203900  0.01839600  0.32527900  1
  F  F58  1  0.59796100  0.92324000  0.11635700  1
  F  F59  1  0.17472100  0.48160400  0.59796100  1
  F  F60  1  0.57676000  0.90203900  0.38364300  1
  F  F61  1  0.32527900  0.92324000  0.30688300  1
  F  F62  1  0.48160400  0.59796100  0.17472100  1
  F  F63  1  0.38364300  0.57676000  0.90203900  1
  F  F64  1  0.92324000  0.30688300  0.32527900  1
  F  F65  1  0.01839600  0.19311700  0.11635700  1
  F  F66  1  0.11635700  0.01839600  0.19311700  1
  F  F67  1  0.59796100  0.17472100  0.48160400  1
  F  F68  1  0.38364300  0.30688300  0.48160400  1
  F  F69  1  0.90203900  0.38364300  0.57676000  1
  F  F70  1  0.48160400  0.38364300  0.30688300  1
  F  F71  1  0.30688300  0.32527900  0.92324000  1
  F  F72  1  0.30688300  0.48160400  0.38364300  1
  F  F73  1  0.32527900  0.90203900  0.01839600  1
  F  F74  1  0.92324000  0.11635700  0.59796100  1
  F  F75  1  0.19311700  0.57676000  0.17472100  1
  F  F76  1  0.80688300  0.88364300  0.98160400  1
  F  F77  1  0.88364300  0.40203900  0.07676000  1
  F  F78  1  0.82527900  0.80688300  0.42324000  1
  F  F79  1  0.98160400  0.67472100  0.09796100  1
