# generated using pymatgen
data_LiFeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.95013778
_cell_length_b   7.95013778
_cell_length_c   12.54811658
_cell_angle_alpha   60.12777235
_cell_angle_beta   60.12777235
_cell_angle_gamma   28.60715206
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF4
_chemical_formula_sum   'Li4 Fe4 F16'
_cell_volume   325.73465956
_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  0.19392400  0.19392400  0.83748200  1
  Li  Li1  1  0.34394300  0.34394300  0.32249300  1
  Li  Li2  1  0.65605700  0.65605700  0.67750700  1
  Li  Li3  1  0.80607600  0.80607600  0.16251800  1
  Fe  Fe4  1  0.96482900  0.96482900  0.86674500  1
  Fe  Fe5  1  0.86210200  0.86210200  0.63905400  1
  Fe  Fe6  1  0.13789800  0.13789800  0.36094600  1
  Fe  Fe7  1  0.03517100  0.03517100  0.13325500  1
  F  F8  1  0.48699800  0.48699800  0.84409300  1
  F  F9  1  0.92718200  0.92718200  0.74075200  1
  F  F10  1  0.83187700  0.83187700  0.99870300  1
  F  F11  1  0.35383700  0.35383700  0.65556400  1
  F  F12  1  0.72503000  0.72503000  0.78595500  1
  F  F13  1  0.79899700  0.79899700  0.54408100  1
  F  F14  1  0.88529500  0.88529500  0.25594500  1
  F  F15  1  0.11470500  0.11470500  0.74405500  1
  F  F16  1  0.20100300  0.20100300  0.45591900  1
  F  F17  1  0.27497000  0.27497000  0.21404500  1
  F  F18  1  0.64616300  0.64616300  0.34443600  1
  F  F19  1  0.16812300  0.16812300  0.00129700  1
  F  F20  1  0.00000000  0.00000000  0.50000000  1
  F  F21  1  0.07281800  0.07281800  0.25924800  1
  F  F22  1  0.51300200  0.51300200  0.15590700  1
  F  F23  1  0.00000000  0.00000000  0.00000000  1
