# generated using pymatgen
data_LiFeF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94731700
_cell_length_b   8.75791500
_cell_length_c   9.26256400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF5
_chemical_formula_sum   'Li4 Fe4 F20'
_cell_volume   401.33005659
_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  0.64512800  0.25000000  0.00000000  1
  Li  Li1  1  0.64512800  0.25000000  0.50000000  1
  Li  Li2  1  0.35487200  0.75000000  0.00000000  1
  Li  Li3  1  0.35487200  0.75000000  0.50000000  1
  Fe  Fe4  1  0.15772500  0.08103200  0.25000000  1
  Fe  Fe5  1  0.15772500  0.41896800  0.75000000  1
  Fe  Fe6  1  0.84227500  0.58103200  0.25000000  1
  Fe  Fe7  1  0.84227500  0.91896800  0.75000000  1
  F  F8  1  0.07665900  0.64875400  0.11551700  1
  F  F9  1  0.07665900  0.64875400  0.38448300  1
  F  F10  1  0.07665900  0.85124600  0.61551700  1
  F  F11  1  0.07665900  0.85124600  0.88448300  1
  F  F12  1  0.32613500  0.97269700  0.11353200  1
  F  F13  1  0.32613500  0.52730300  0.61353200  1
  F  F14  1  0.32613500  0.97269700  0.38646800  1
  F  F15  1  0.32613500  0.52730300  0.88646800  1
  F  F16  1  0.39261300  0.25533300  0.75000000  1
  F  F17  1  0.39261300  0.24466700  0.25000000  1
  F  F18  1  0.60738700  0.74466700  0.25000000  1
  F  F19  1  0.60738700  0.75533300  0.75000000  1
  F  F20  1  0.67386500  0.02730300  0.61353200  1
  F  F21  1  0.67386500  0.02730300  0.88646800  1
  F  F22  1  0.67386500  0.47269700  0.11353200  1
  F  F23  1  0.67386500  0.47269700  0.38646800  1
  F  F24  1  0.92334100  0.14875400  0.11551700  1
  F  F25  1  0.92334100  0.14875400  0.38448300  1
  F  F26  1  0.92334100  0.35124600  0.61551700  1
  F  F27  1  0.92334100  0.35124600  0.88448300  1
