# generated using pymatgen
data_LiCo3OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.40263600
_cell_length_b   8.44944400
_cell_length_c   8.44949181
_cell_angle_alpha   109.04752303
_cell_angle_beta   109.14774928
_cell_angle_gamma   109.24661240
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCo3OF5
_chemical_formula_sum   'Li4 Co12 O4 F20'
_cell_volume   467.25358417
_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  0.48058400  0.48394000  0.47711400  1
  Li  Li1  1  0.51978900  0.00265200  0.00442900  1
  Li  Li2  1  0.03318600  0.02899700  0.52981300  1
  Li  Li3  1  0.99037000  0.49925400  0.97702900  1
  Co  Co4  1  0.28751600  0.04988100  0.24119600  1
  Co  Co5  1  0.25383300  0.22688500  0.97587300  1
  Co  Co6  1  0.76222100  0.29693700  0.54161400  1
  Co  Co7  1  0.03028100  0.23527400  0.25470500  1
  Co  Co8  1  0.51325100  0.25375000  0.78237900  1
  Co  Co9  1  0.78501100  0.53396300  0.24584000  1
  Co  Co10  1  0.20818600  0.45935600  0.74879100  1
  Co  Co11  1  0.46296500  0.75366900  0.21751300  1
  Co  Co12  1  0.96837400  0.73351100  0.72068900  1
  Co  Co13  1  0.76205800  0.80236800  0.04288600  1
  Co  Co14  1  0.24932800  0.71878100  0.46791300  1
  Co  Co15  1  0.72260400  0.96954300  0.77054800  1
  O  O16  1  0.27862000  0.25712700  0.76020900  1
  O  O17  1  0.77876800  0.03411700  0.03458900  1
  O  O18  1  0.00042400  0.52798700  0.75098000  1
  O  O19  1  0.25673800  0.25964800  0.21514100  1
  F  F20  1  0.04805400  0.97653400  0.28039200  1
  F  F21  1  0.54946300  0.04106300  0.28101900  1
  F  F22  1  0.50019100  0.27019700  0.54236000  1
  F  F23  1  0.76553200  0.54333200  0.99427900  1
  F  F24  1  0.94365800  0.20833400  0.46682100  1
  F  F25  1  0.75937800  0.22118200  0.76771700  1
  F  F26  1  0.55852700  0.27002700  0.05413200  1
  F  F27  1  0.26406300  0.51046700  0.53767000  1
  F  F28  1  0.71454200  0.49259900  0.43902700  1
  F  F29  1  0.45553000  0.72430400  0.95700300  1
  F  F30  1  0.24162500  0.79286000  0.25350200  1
  F  F31  1  0.72636200  0.70635700  0.76322100  1
  F  F32  1  0.03867700  0.76817000  0.50284500  1
  F  F33  1  0.23557200  0.48621500  0.03663500  1
  F  F34  1  0.99708400  0.46973300  0.22789100  1
  F  F35  1  0.71470300  0.75203700  0.26134900  1
  F  F36  1  0.51207600  0.74741100  0.47147300  1
  F  F37  1  0.23585700  0.94505400  0.95271100  1
  F  F38  1  0.44418300  0.96055700  0.72165600  1
  F  F39  1  0.95081300  0.98592400  0.72904800  1
