# generated using pymatgen
data_LiFeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05628400
_cell_length_b   6.43283700
_cell_length_c   15.49608900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF4
_chemical_formula_sum   'Li4 Fe4 F16'
_cell_volume   304.66204785
_cell_formula_units_Z   4
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  0.75000000  0.34331400  0.84956600  1
  Li  Li1  1  0.25000000  0.15668600  0.34956600  1
  Li  Li2  1  0.75000000  0.84331400  0.65043400  1
  Li  Li3  1  0.25000000  0.65668600  0.15043400  1
  Fe  Fe4  1  0.25000000  0.34326900  0.63087600  1
  Fe  Fe5  1  0.75000000  0.15673100  0.13087600  1
  Fe  Fe6  1  0.25000000  0.84326900  0.86912400  1
  Fe  Fe7  1  0.75000000  0.65673100  0.36912400  1
  F  F8  1  0.25000000  0.04541000  0.62985300  1
  F  F9  1  0.25000000  0.16307000  0.21721300  1
  F  F10  1  0.25000000  0.13916600  0.86044000  1
  F  F11  1  0.25000000  0.15388100  0.05031700  1
  F  F12  1  0.75000000  0.34611900  0.55031700  1
  F  F13  1  0.75000000  0.36083400  0.36044000  1
  F  F14  1  0.75000000  0.33693000  0.71721300  1
  F  F15  1  0.75000000  0.45459000  0.12985300  1
  F  F16  1  0.25000000  0.54541000  0.87014700  1
  F  F17  1  0.25000000  0.66307000  0.28278700  1
  F  F18  1  0.25000000  0.63916600  0.63956000  1
  F  F19  1  0.25000000  0.65388100  0.44968300  1
  F  F20  1  0.75000000  0.84611900  0.94968300  1
  F  F21  1  0.75000000  0.86083400  0.13956000  1
  F  F22  1  0.75000000  0.83693000  0.78278700  1
  F  F23  1  0.75000000  0.95459000  0.37014700  1
