# generated using pymatgen
data_LiFeF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.81151900
_cell_length_b   8.81151900
_cell_length_c   6.20339200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF3
_chemical_formula_sum   'Li8 Fe8 F24'
_cell_volume   481.64914055
_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  0.00000000  0.00000000  1
  Li  Li1  1  0.00000000  0.00000000  0.50000000  1
  Li  Li2  1  0.25000000  0.25000000  0.75000000  1
  Li  Li3  1  0.75000000  0.25000000  0.25000000  1
  Li  Li4  1  0.50000000  0.50000000  0.00000000  1
  Li  Li5  1  0.50000000  0.50000000  0.50000000  1
  Li  Li6  1  0.25000000  0.75000000  0.25000000  1
  Li  Li7  1  0.75000000  0.75000000  0.75000000  1
  Fe  Fe8  1  0.33566800  0.90907400  0.71621800  1
  Fe  Fe9  1  0.40907400  0.16433200  0.21621800  1
  Fe  Fe10  1  0.09092600  0.33566800  0.28378200  1
  Fe  Fe11  1  0.16433200  0.59092600  0.78378200  1
  Fe  Fe12  1  0.83566800  0.40907400  0.78378200  1
  Fe  Fe13  1  0.90907400  0.66433200  0.28378200  1
  Fe  Fe14  1  0.59092600  0.83566800  0.21621800  1
  Fe  Fe15  1  0.66433200  0.09092600  0.71621800  1
  F  F16  1  0.16255200  0.04942400  0.67125700  1
  F  F17  1  0.63296100  0.05401700  0.29674000  1
  F  F18  1  0.19521500  0.18552800  0.06763900  1
  F  F19  1  0.44598300  0.13296100  0.79674000  1
  F  F20  1  0.95057600  0.16255200  0.32874300  1
  F  F21  1  0.81447200  0.19521500  0.93236100  1
  F  F22  1  0.68552800  0.30478500  0.56763900  1
  F  F23  1  0.54942400  0.33744800  0.17125700  1
  F  F24  1  0.05401700  0.36703900  0.70326000  1
  F  F25  1  0.30478500  0.31447200  0.43236100  1
  F  F26  1  0.86703900  0.44598300  0.20326000  1
  F  F27  1  0.33744800  0.45057600  0.82874300  1
  F  F28  1  0.66255200  0.54942400  0.82874300  1
  F  F29  1  0.13296100  0.55401700  0.20326000  1
  F  F30  1  0.69521500  0.68552800  0.43236100  1
  F  F31  1  0.94598300  0.63296100  0.70326000  1
  F  F32  1  0.45057600  0.66255200  0.17125700  1
  F  F33  1  0.31447200  0.69521500  0.56763900  1
  F  F34  1  0.18552800  0.80478500  0.93236100  1
  F  F35  1  0.04942400  0.83744800  0.32874300  1
  F  F36  1  0.55401700  0.86703900  0.79674000  1
  F  F37  1  0.80478500  0.81447200  0.06763900  1
  F  F38  1  0.36703900  0.94598300  0.29674000  1
  F  F39  1  0.83744800  0.95057600  0.67125700  1
