# generated using pymatgen
data_LiFeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.49964700
_cell_length_b   7.71362300
_cell_length_c   11.06675500
_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   640.20568551
_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  0.75000000  0.47329200  0.01054100  1
  Li  Li1  1  0.75000000  0.02311100  0.00026600  1
  Li  Li2  1  0.25000000  0.52311100  0.49973400  1
  Li  Li3  1  0.25000000  0.97329200  0.48945900  1
  Li  Li4  1  0.75000000  0.02670800  0.51054100  1
  Li  Li5  1  0.75000000  0.47688900  0.50026600  1
  Li  Li6  1  0.25000000  0.97688900  0.99973400  1
  Li  Li7  1  0.25000000  0.52670800  0.98945900  1
  Fe  Fe8  1  0.99989700  0.11090600  0.25625000  1
  Fe  Fe9  1  0.50010300  0.11090600  0.25625000  1
  Fe  Fe10  1  0.00010300  0.61090600  0.24375000  1
  Fe  Fe11  1  0.49989700  0.61090600  0.24375000  1
  Fe  Fe12  1  0.99989700  0.38909400  0.75625000  1
  Fe  Fe13  1  0.50010300  0.38909400  0.75625000  1
  Fe  Fe14  1  0.49989700  0.88909400  0.74375000  1
  Fe  Fe15  1  0.00010300  0.88909400  0.74375000  1
  F  F16  1  0.06803100  0.07222300  0.09500600  1
  F  F17  1  0.43196900  0.07222300  0.09500600  1
  F  F18  1  0.06727600  0.63419500  0.07901300  1
  F  F19  1  0.43272400  0.63419500  0.07901300  1
  F  F20  1  0.25000000  0.05838900  0.32279700  1
  F  F21  1  0.25000000  0.64899700  0.30944000  1
  F  F22  1  0.55688100  0.85769100  0.26463300  1
  F  F23  1  0.94311900  0.85769100  0.26463300  1
  F  F24  1  0.05688100  0.35769100  0.23536700  1
  F  F25  1  0.44311900  0.35769100  0.23536700  1
  F  F26  1  0.75000000  0.14899700  0.19056000  1
  F  F27  1  0.75000000  0.55838900  0.17720300  1
  F  F28  1  0.93272400  0.13419500  0.42098700  1
  F  F29  1  0.56727600  0.13419500  0.42098700  1
  F  F30  1  0.93196900  0.57222300  0.40499400  1
  F  F31  1  0.56803100  0.57222300  0.40499400  1
  F  F32  1  0.06803100  0.42777700  0.59500600  1
  F  F33  1  0.43196900  0.42777700  0.59500600  1
  F  F34  1  0.43272400  0.86580500  0.57901300  1
  F  F35  1  0.06727600  0.86580500  0.57901300  1
  F  F36  1  0.25000000  0.44161100  0.82279700  1
  F  F37  1  0.25000000  0.85100300  0.80944000  1
  F  F38  1  0.55688100  0.64230900  0.76463300  1
  F  F39  1  0.94311900  0.64230900  0.76463300  1
  F  F40  1  0.05688100  0.14230900  0.73536700  1
  F  F41  1  0.44311900  0.14230900  0.73536700  1
  F  F42  1  0.75000000  0.35100300  0.69056000  1
  F  F43  1  0.75000000  0.94161100  0.67720300  1
  F  F44  1  0.93272400  0.36580500  0.92098700  1
  F  F45  1  0.56727600  0.36580500  0.92098700  1
  F  F46  1  0.56803100  0.92777700  0.90499400  1
  F  F47  1  0.93196900  0.92777700  0.90499400  1
