# generated using pymatgen
data_LiFeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.21270964
_cell_length_b   6.21270964
_cell_length_c   4.94635392
_cell_angle_alpha   71.01470594
_cell_angle_beta   71.01470594
_cell_angle_gamma   58.70571482
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF4
_chemical_formula_sum   'Li2 Fe2 F8'
_cell_volume   151.35194089
_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  0.50000000  0.00000000  0.00000000  1
  Li  Li1  1  0.00000000  0.50000000  0.50000000  1
  Fe  Fe2  1  0.65946700  0.34053300  0.25000000  1
  Fe  Fe3  1  0.34053300  0.65946700  0.75000000  1
  F  F4  1  0.28891200  0.50101000  0.16650600  1
  F  F5  1  0.71123100  0.03479600  0.18721400  1
  F  F6  1  0.50101000  0.28891200  0.66650600  1
  F  F7  1  0.03479600  0.71123100  0.68721400  1
  F  F8  1  0.26763000  0.98157100  0.80918400  1
  F  F9  1  0.69490700  0.51566800  0.83432500  1
  F  F10  1  0.96520400  0.28876900  0.31278600  1
  F  F11  1  0.49899000  0.71108800  0.33349400  1
