# generated using pymatgen
data_LiFeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72748000
_cell_length_b   5.67561000
_cell_length_c   10.21901000
_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   274.18965782
_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  0.00000000  0.82441800  0.25000000  1
  Li  Li1  1  0.00000000  0.17558200  0.75000000  1
  Li  Li2  1  0.50000000  0.32441800  0.25000000  1
  Li  Li3  1  0.50000000  0.67558200  0.75000000  1
  Fe  Fe4  1  0.00000000  0.50000000  0.00000000  1
  Fe  Fe5  1  0.00000000  0.50000000  0.50000000  1
  Fe  Fe6  1  0.50000000  0.00000000  0.00000000  1
  Fe  Fe7  1  0.50000000  0.00000000  0.50000000  1
  F  F8  1  0.22633000  0.23360400  0.57805500  1
  F  F9  1  0.22633000  0.76639600  0.07805500  1
  F  F10  1  0.21328900  0.48536900  0.84332300  1
  F  F11  1  0.21328900  0.51463100  0.34332300  1
  F  F12  1  0.28671100  0.01463100  0.34332300  1
  F  F13  1  0.28671100  0.98536900  0.84332300  1
  F  F14  1  0.27367000  0.26639600  0.07805500  1
  F  F15  1  0.27367000  0.73360400  0.57805500  1
  F  F16  1  0.72633000  0.26639600  0.42194500  1
  F  F17  1  0.72633000  0.73360400  0.92194500  1
  F  F18  1  0.71328900  0.98536900  0.65667700  1
  F  F19  1  0.71328900  0.01463100  0.15667700  1
  F  F20  1  0.78671100  0.51463100  0.15667700  1
  F  F21  1  0.78671100  0.48536900  0.65667700  1
  F  F22  1  0.77367000  0.76639600  0.42194500  1
  F  F23  1  0.77367000  0.23360400  0.92194500  1
