# generated using pymatgen
data_LiFeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.49990700
_cell_length_b   7.61970100
_cell_length_c   10.34364900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF4
_chemical_formula_sum   'Li8 Fe8 F32'
_cell_volume   591.10901487
_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
  Li  Li0  1  0.00000000  0.25378700  0.77012700  1
  Li  Li1  1  0.00000000  0.82578400  0.77545400  1
  Li  Li2  1  0.00000000  0.02255300  0.26512400  1
  Li  Li3  1  0.00000000  0.56599300  0.28070300  1
  Li  Li4  1  0.50000000  0.06599300  0.71929700  1
  Li  Li5  1  0.50000000  0.32578400  0.22454600  1
  Li  Li6  1  0.50000000  0.52255300  0.73487600  1
  Li  Li7  1  0.50000000  0.75378800  0.22987300  1
  Fe  Fe8  1  0.24653900  0.49596500  0.00379100  1
  Fe  Fe9  1  0.24984600  0.74280000  0.50489400  1
  Fe  Fe10  1  0.25015400  0.24280000  0.49510600  1
  Fe  Fe11  1  0.25346100  0.99596500  0.99620900  1
  Fe  Fe12  1  0.74653900  0.99596500  0.99620900  1
  Fe  Fe13  1  0.74984600  0.24280000  0.49510600  1
  Fe  Fe14  1  0.75015400  0.74280000  0.50489400  1
  Fe  Fe15  1  0.75346100  0.49596500  0.00379100  1
  F  F16  1  0.00000000  0.20812300  0.57039000  1
  F  F17  1  0.00000000  0.78723200  0.58162800  1
  F  F18  1  0.00000000  0.03506300  0.06731700  1
  F  F19  1  0.00000000  0.47370500  0.08762700  1
  F  F20  1  0.16716300  0.43899400  0.83987600  1
  F  F21  1  0.17608300  0.19874800  0.32408200  1
  F  F22  1  0.16298300  0.77143000  0.33588100  1
  F  F23  1  0.16924800  0.02655700  0.82256900  1
  F  F24  1  0.18980200  0.49214900  0.47535200  1
  F  F25  1  0.19051600  0.74451300  0.96950900  1
  F  F26  1  0.30948400  0.24451200  0.03049100  1
  F  F27  1  0.31019800  0.99214900  0.52464800  1
  F  F28  1  0.33075200  0.52655700  0.17743100  1
  F  F29  1  0.33701700  0.27143000  0.66411900  1
  F  F30  1  0.32391700  0.69874800  0.67591800  1
  F  F31  1  0.33283700  0.93899400  0.16012400  1
  F  F32  1  0.50000000  0.28723200  0.41837200  1
  F  F33  1  0.50000000  0.53506300  0.93268300  1
  F  F34  1  0.50000000  0.97370500  0.91237300  1
  F  F35  1  0.50000000  0.70812300  0.42961000  1
  F  F36  1  0.66716300  0.93899400  0.16012400  1
  F  F37  1  0.67608300  0.69874800  0.67591800  1
  F  F38  1  0.66298300  0.27143000  0.66411900  1
  F  F39  1  0.66924800  0.52655700  0.17743100  1
  F  F40  1  0.68980200  0.99214900  0.52464800  1
  F  F41  1  0.69051600  0.24451200  0.03049100  1
  F  F42  1  0.80948400  0.74451300  0.96950900  1
  F  F43  1  0.81019800  0.49214900  0.47535200  1
  F  F44  1  0.83075200  0.02655700  0.82256900  1
  F  F45  1  0.83701700  0.77143000  0.33588100  1
  F  F46  1  0.82391700  0.19874800  0.32408200  1
  F  F47  1  0.83283700  0.43899400  0.83987600  1
