# generated using pymatgen
data_LiFeF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.29873847
_cell_length_b   12.29873847
_cell_length_c   12.29873798
_cell_angle_alpha   27.45728192
_cell_angle_beta   27.45728192
_cell_angle_gamma   27.45728169
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF3
_chemical_formula_sum   'Li6 Fe6 F18'
_cell_volume   349.06229717
_cell_formula_units_Z   6
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  0.06717700  0.43282300  0.75000000  1
  Li  Li1  1  0.75000000  0.06717700  0.43282300  1
  Li  Li2  1  0.56717700  0.25000000  0.93282300  1
  Li  Li3  1  0.43282300  0.75000000  0.06717700  1
  Li  Li4  1  0.25000000  0.93282300  0.56717700  1
  Li  Li5  1  0.93282300  0.56717700  0.25000000  1
  Fe  Fe6  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe7  1  0.65545900  0.65545900  0.65545900  1
  Fe  Fe8  1  0.84454100  0.84454100  0.84454100  1
  Fe  Fe9  1  0.15545900  0.15545900  0.15545900  1
  Fe  Fe10  1  0.34454100  0.34454100  0.34454100  1
  Fe  Fe11  1  0.50000000  0.50000000  0.50000000  1
  F  F12  1  0.99057000  0.36693500  0.71420000  1
  F  F13  1  0.13306500  0.50943000  0.78580000  1
  F  F14  1  0.09401800  0.09401800  0.09401800  1
  F  F15  1  0.49057000  0.21420000  0.86693500  1
  F  F16  1  0.63306500  0.28580000  0.00943000  1
  F  F17  1  0.71420000  0.99057000  0.36693500  1
  F  F18  1  0.75000000  0.75000000  0.75000000  1
  F  F19  1  0.78580000  0.13306500  0.50943000  1
  F  F20  1  0.59401800  0.59401800  0.59401800  1
  F  F21  1  0.40598200  0.40598200  0.40598200  1
  F  F22  1  0.21420000  0.86693500  0.49057000  1
  F  F23  1  0.25000000  0.25000000  0.25000000  1
  F  F24  1  0.28580000  0.00943000  0.63306500  1
  F  F25  1  0.36693500  0.71420000  0.99057000  1
  F  F26  1  0.50943000  0.78580000  0.13306500  1
  F  F27  1  0.90598200  0.90598200  0.90598200  1
  F  F28  1  0.86693500  0.49057000  0.21420000  1
  F  F29  1  0.00943000  0.63306500  0.28580000  1
