# generated using pymatgen
data_LiFeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94635500
_cell_length_b   6.09077653
_cell_length_c   6.21172077
_cell_angle_alpha   119.33664500
_cell_angle_beta   109.11647554
_cell_angle_gamma   89.75315082
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF4
_chemical_formula_sum   'Li2 Fe2 F8'
_cell_volume   151.35022128
_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  0.50276900  0.99617700  0.99880000  1
  Li  Li1  1  0.99751600  0.49895100  0.99697100  1
  Fe  Fe2  1  0.24917600  0.16016600  0.49982600  1
  Fe  Fe3  1  0.75105000  0.82918000  0.50114200  1
  F  F4  1  0.33363700  0.79048600  0.29149600  1
  F  F5  1  0.31292800  0.21280500  0.24760100  1
  F  F6  1  0.83229600  0.99069000  0.29109400  1
  F  F7  1  0.81558700  0.52521700  0.24764000  1
  F  F8  1  0.69095800  0.76920400  0.75077400  1
  F  F9  1  0.66581700  0.19648100  0.71214900  1
  F  F10  1  0.18695100  0.46782300  0.75014000  1
  F  F11  1  0.16706300  0.00233700  0.71087100  1
