# generated using pymatgen
data_LiFeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.82270597
_cell_length_b   7.82270597
_cell_length_c   7.82270597
_cell_angle_alpha   98.46864445
_cell_angle_beta   98.46864445
_cell_angle_gamma   134.86701905
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF4
_chemical_formula_sum   'Li4 Fe4 F16'
_cell_volume   313.30542026
_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  0.56241000  0.87500000  0.18741000  1
  Li  Li1  1  0.62500000  0.43759000  0.31259000  1
  Li  Li2  1  0.12500000  0.31241000  0.68741000  1
  Li  Li3  1  0.68759000  0.37500000  0.81259000  1
  Fe  Fe4  1  0.08930300  0.87500000  0.71430300  1
  Fe  Fe5  1  0.62500000  0.91069700  0.78569700  1
  Fe  Fe6  1  0.12500000  0.83930300  0.21430300  1
  Fe  Fe7  1  0.16069700  0.37500000  0.28569700  1
  F  F8  1  0.05677300  0.82353000  0.44845300  1
  F  F9  1  0.77133500  0.51300200  0.60553800  1
  F  F10  1  0.34253600  0.23699800  0.75833300  1
  F  F11  1  0.87492300  0.92647000  0.73324300  1
  F  F12  1  0.07353000  0.80677300  0.94845300  1
  F  F13  1  0.17647000  0.62492300  0.23324300  1
  F  F14  1  0.83420300  0.22866500  0.74166700  1
  F  F15  1  0.41579700  0.65746400  0.89446200  1
  F  F16  1  0.48699800  0.09253600  0.25833300  1
  F  F17  1  0.76300200  0.52133500  0.10553800  1
  F  F18  1  0.85832000  0.12507700  0.05154700  1
  F  F19  1  0.39168000  0.94322700  0.76675700  1
  F  F20  1  0.19322700  0.14168000  0.26675700  1
  F  F21  1  0.47866500  0.58420300  0.24166700  1
  F  F22  1  0.90746400  0.16579700  0.39446200  1
  F  F23  1  0.37507700  0.60832000  0.55154700  1
