# generated using pymatgen
data_LiFeF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.40751800
_cell_length_b   3.20521300
_cell_length_c   4.94479633
_cell_angle_alpha   89.94438198
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF3
_chemical_formula_sum   'Li2 Fe2 F6'
_cell_volume   117.40262695
_cell_formula_units_Z   2
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  0.25000000  0.50396700  0.53224200  1
  Li  Li1  1  0.75000000  0.49603300  0.46775800  1
  Fe  Fe2  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe3  1  0.50000000  0.00000000  0.00000000  1
  F  F4  1  0.56738800  0.48417400  0.75624300  1
  F  F5  1  0.93261200  0.48417400  0.75624300  1
  F  F6  1  0.25000000  0.00264600  0.76865600  1
  F  F7  1  0.43261200  0.51582600  0.24375700  1
  F  F8  1  0.06738800  0.51582600  0.24375700  1
  F  F9  1  0.75000000  0.99735400  0.23134400  1
