# generated using pymatgen
data_Li3Fe2F9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.81677600
_cell_length_b   9.52244800
_cell_length_c   10.68220800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe2F9
_chemical_formula_sum   'Li12 Fe8 F36'
_cell_volume   795.12847524
_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  0.75000000  0.01604300  0.84159400  1
  Li  Li1  1  0.75000000  0.03286300  0.53067600  1
  Li  Li2  1  0.25000000  0.11334000  0.84863900  1
  Li  Li3  1  0.75000000  0.38666000  0.34863900  1
  Li  Li4  1  0.25000000  0.46713700  0.03067600  1
  Li  Li5  1  0.25000000  0.48395700  0.34159400  1
  Li  Li6  1  0.75000000  0.51604300  0.65840600  1
  Li  Li7  1  0.75000000  0.53286300  0.96932400  1
  Li  Li8  1  0.25000000  0.61334000  0.65136100  1
  Li  Li9  1  0.75000000  0.88666000  0.15136100  1
  Li  Li10  1  0.25000000  0.96713700  0.46932400  1
  Li  Li11  1  0.25000000  0.98395700  0.15840600  1
  Fe  Fe12  1  0.93954300  0.22675700  0.06811000  1
  Fe  Fe13  1  0.56045700  0.22675700  0.06811000  1
  Fe  Fe14  1  0.06045700  0.27324300  0.56811000  1
  Fe  Fe15  1  0.43954300  0.27324300  0.56811000  1
  Fe  Fe16  1  0.56045700  0.72675700  0.43189000  1
  Fe  Fe17  1  0.93954300  0.72675700  0.43189000  1
  Fe  Fe18  1  0.06045700  0.77324300  0.93189000  1
  Fe  Fe19  1  0.43954300  0.77324300  0.93189000  1
  F  F20  1  0.75000000  0.07610100  0.02443200  1
  F  F21  1  0.05252900  0.09478400  0.16857700  1
  F  F22  1  0.44747100  0.09478400  0.16857700  1
  F  F23  1  0.56039300  0.10740600  0.60893800  1
  F  F24  1  0.93960700  0.10740600  0.60893800  1
  F  F25  1  0.25000000  0.16248700  0.47303800  1
  F  F26  1  0.05232200  0.19305600  0.91593900  1
  F  F27  1  0.44767800  0.19305600  0.91593900  1
  F  F28  1  0.25000000  0.23201600  0.69619700  1
  F  F29  1  0.75000000  0.26798400  0.19619700  1
  F  F30  1  0.94767800  0.30694400  0.41593900  1
  F  F31  1  0.55232200  0.30694400  0.41593900  1
  F  F32  1  0.75000000  0.33751300  0.97303800  1
  F  F33  1  0.06039300  0.39259400  0.10893800  1
  F  F34  1  0.43960700  0.39259400  0.10893800  1
  F  F35  1  0.55252900  0.40521600  0.66857700  1
  F  F36  1  0.94747100  0.40521600  0.66857700  1
  F  F37  1  0.25000000  0.42389900  0.52443200  1
  F  F38  1  0.75000000  0.57610100  0.47556800  1
  F  F39  1  0.05252900  0.59478400  0.33142300  1
  F  F40  1  0.44747100  0.59478400  0.33142300  1
  F  F41  1  0.56039300  0.60740600  0.89106200  1
  F  F42  1  0.93960700  0.60740600  0.89106200  1
  F  F43  1  0.25000000  0.66248700  0.02696200  1
  F  F44  1  0.05232200  0.69305600  0.58406100  1
  F  F45  1  0.44767800  0.69305600  0.58406100  1
  F  F46  1  0.25000000  0.73201600  0.80380300  1
  F  F47  1  0.75000000  0.76798400  0.30380300  1
  F  F48  1  0.55232200  0.80694400  0.08406100  1
  F  F49  1  0.94767800  0.80694400  0.08406100  1
  F  F50  1  0.75000000  0.83751300  0.52696200  1
  F  F51  1  0.06039300  0.89259400  0.39106200  1
  F  F52  1  0.43960700  0.89259400  0.39106200  1
  F  F53  1  0.55252900  0.90521600  0.83142300  1
  F  F54  1  0.94747100  0.90521600  0.83142300  1
  F  F55  1  0.25000000  0.92389900  0.97556800  1
