# generated using pymatgen
data_LiFe2OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56313800
_cell_length_b   8.68162937
_cell_length_c   8.70071489
_cell_angle_alpha   60.17225179
_cell_angle_beta   89.75177084
_cell_angle_gamma   89.54697500
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2OF5
_chemical_formula_sum   'Li3 Fe6 O3 F15'
_cell_volume   299.01157022
_cell_formula_units_Z   3
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  0.50719600  0.33567800  0.33187200  1
  Li  Li1  1  0.99215600  0.99926200  0.99888600  1
  Li  Li2  1  0.48538000  0.66956600  0.66507200  1
  Fe  Fe3  1  0.01863000  0.63683200  0.00664700  1
  Fe  Fe4  1  0.48309700  0.32415800  0.00510900  1
  Fe  Fe5  1  0.01860800  0.98618300  0.35527000  1
  Fe  Fe6  1  0.48219000  0.68993400  0.32271200  1
  Fe  Fe7  1  0.52056800  0.01247700  0.67839400  1
  Fe  Fe8  1  0.97948500  0.34075500  0.64525400  1
  O  O9  1  0.26177200  0.43902700  0.10155600  1
  O  O10  1  0.73641800  0.22186100  0.56677000  1
  O  O11  1  0.26258600  0.78772400  0.43453700  1
  F  F12  1  0.23527400  0.77340800  0.10641500  1
  F  F13  1  0.73712000  0.57002000  0.21354800  1
  F  F14  1  0.25627400  0.45708400  0.43861600  1
  F  F15  1  0.74014400  0.20602200  0.22283300  1
  F  F16  1  0.23518400  0.10647400  0.11665700  1
  F  F17  1  0.76437500  0.89319000  0.22339200  1
  F  F18  1  0.25741500  0.10399200  0.45885300  1
  F  F19  1  0.23399400  0.11633100  0.77828900  1
  F  F20  1  0.74325700  0.89346800  0.56226800  1
  F  F21  1  0.74349600  0.56407900  0.54193600  1
  F  F22  1  0.26602800  0.78470100  0.78457500  1
  F  F23  1  0.76714500  0.87547300  0.89372300  1
  F  F24  1  0.74474200  0.54697400  0.88913700  1
  F  F25  1  0.26346200  0.43191600  0.77416000  1
  F  F26  1  0.76400600  0.23351400  0.88341600  1
