# generated using pymatgen
data_LiFeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.78122100
_cell_length_b   6.05374500
_cell_length_c   10.47688246
_cell_angle_alpha   57.86771219
_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   417.92297408
_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  0.03143800  0.67813200  0.23292300  1
  Li  Li1  1  0.53143800  0.32186800  0.26707700  1
  Li  Li2  1  0.46856200  0.67813200  0.73292300  1
  Li  Li3  1  0.96856200  0.32186800  0.76707700  1
  Fe  Fe4  1  0.32025300  0.33022200  0.55966200  1
  Fe  Fe5  1  0.82025300  0.66977800  0.94033800  1
  Fe  Fe6  1  0.17974700  0.33022200  0.05966200  1
  Fe  Fe7  1  0.67974700  0.66977800  0.44033800  1
  F  F8  1  0.19266300  0.25778000  0.72863400  1
  F  F9  1  0.15366000  0.49219700  0.41300500  1
  F  F10  1  0.85448500  0.00612300  0.89472700  1
  F  F11  1  0.51057800  0.47394000  0.39362000  1
  F  F12  1  0.01057800  0.52606000  0.10638000  1
  F  F13  1  0.65366000  0.50780300  0.08699500  1
  F  F14  1  0.35448500  0.99387700  0.60527300  1
  F  F15  1  0.30733700  0.25778000  0.22863400  1
  F  F16  1  0.69266300  0.74222000  0.77136600  1
  F  F17  1  0.64551500  0.00612300  0.39472700  1
  F  F18  1  0.34634000  0.49219700  0.91300500  1
  F  F19  1  0.98942200  0.47394000  0.89362000  1
  F  F20  1  0.48942200  0.52606000  0.60638000  1
  F  F21  1  0.14551500  0.99387700  0.10527300  1
  F  F22  1  0.84634000  0.50780300  0.58699500  1
  F  F23  1  0.80733700  0.74222000  0.27136600  1
