# generated using pymatgen
data_Li3CuF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19393500
_cell_length_b   9.17056200
_cell_length_c   17.29713800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3CuF6
_chemical_formula_sum   'Li24 Cu8 F48'
_cell_volume   823.88522010
_cell_formula_units_Z   8
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  0.19774000  0.74812100  0.17005000  1
  Li  Li1  1  0.19774000  0.74812100  0.32995000  1
  Li  Li2  1  0.19774000  0.75187900  0.67005000  1
  Li  Li3  1  0.19774000  0.75187900  0.82995000  1
  Li  Li4  1  0.21290600  0.44338500  0.07296500  1
  Li  Li5  1  0.21290600  0.05661500  0.92703500  1
  Li  Li6  1  0.21290600  0.44338500  0.42703500  1
  Li  Li7  1  0.21290600  0.05661500  0.57296500  1
  Li  Li8  1  0.29254700  0.07688000  0.37106600  1
  Li  Li9  1  0.29254700  0.07688000  0.12893400  1
  Li  Li10  1  0.29254700  0.42312000  0.62893400  1
  Li  Li11  1  0.29254700  0.42312000  0.87106600  1
  Li  Li12  1  0.70745300  0.57688000  0.12893400  1
  Li  Li13  1  0.70745300  0.57688000  0.37106600  1
  Li  Li14  1  0.70745300  0.92312000  0.87106600  1
  Li  Li15  1  0.70745300  0.92312000  0.62893400  1
  Li  Li16  1  0.78709400  0.55661500  0.92703500  1
  Li  Li17  1  0.78709400  0.55661500  0.57296500  1
  Li  Li18  1  0.78709400  0.94338500  0.07296500  1
  Li  Li19  1  0.78709400  0.94338500  0.42703500  1
  Li  Li20  1  0.80226000  0.24812100  0.17005000  1
  Li  Li21  1  0.80226000  0.24812100  0.32995000  1
  Li  Li22  1  0.80226000  0.25187900  0.82995000  1
  Li  Li23  1  0.80226000  0.25187900  0.67005000  1
  Cu  Cu24  1  0.19372200  0.75000000  0.00000000  1
  Cu  Cu25  1  0.19372200  0.75000000  0.50000000  1
  Cu  Cu26  1  0.26110000  0.44516400  0.25000000  1
  Cu  Cu27  1  0.26110000  0.05483600  0.75000000  1
  Cu  Cu28  1  0.73890000  0.94516400  0.25000000  1
  Cu  Cu29  1  0.73890000  0.55483600  0.75000000  1
  Cu  Cu30  1  0.80627800  0.25000000  0.00000000  1
  Cu  Cu31  1  0.80627800  0.25000000  0.50000000  1
  F  F32  1  0.02982600  0.49745000  0.16787200  1
  F  F33  1  0.02982600  0.49745000  0.33212800  1
  F  F34  1  0.02982600  0.00255000  0.66787200  1
  F  F35  1  0.02982600  0.00255000  0.83212800  1
  F  F36  1  0.07308500  0.23836300  0.07768900  1
  F  F37  1  0.07308500  0.23836300  0.42231100  1
  F  F38  1  0.07308500  0.26163700  0.57768900  1
  F  F39  1  0.07308500  0.26163700  0.92231100  1
  F  F40  1  0.08937300  0.26000100  0.25000000  1
  F  F41  1  0.08937300  0.23999900  0.75000000  1
  F  F42  1  0.21510800  0.95203500  0.03059400  1
  F  F43  1  0.21510800  0.54796500  0.53059400  1
  F  F44  1  0.21510800  0.95203500  0.46940600  1
  F  F45  1  0.21510800  0.54796500  0.96940600  1
  F  F46  1  0.39135400  0.64001800  0.25000000  1
  F  F47  1  0.39135400  0.85998200  0.75000000  1
  F  F48  1  0.40842800  0.67662500  0.08210800  1
  F  F49  1  0.40842800  0.67662500  0.41789200  1
  F  F50  1  0.40842800  0.82337500  0.58210800  1
  F  F51  1  0.40842800  0.82337500  0.91789200  1
  F  F52  1  0.49732400  0.90516500  0.16869700  1
  F  F53  1  0.49732400  0.90516500  0.33130300  1
  F  F54  1  0.49732400  0.59483500  0.83130300  1
  F  F55  1  0.49732400  0.59483500  0.66869700  1
  F  F56  1  0.50267600  0.09483500  0.83130300  1
  F  F57  1  0.50267600  0.40516500  0.16869700  1
  F  F58  1  0.50267600  0.09483500  0.66869700  1
  F  F59  1  0.50267600  0.40516500  0.33130300  1
  F  F60  1  0.59157200  0.17662500  0.08210800  1
  F  F61  1  0.59157200  0.17662500  0.41789200  1
  F  F62  1  0.59157200  0.32337500  0.58210800  1
  F  F63  1  0.59157200  0.32337500  0.91789200  1
  F  F64  1  0.60864600  0.35998200  0.75000000  1
  F  F65  1  0.60864600  0.14001800  0.25000000  1
  F  F66  1  0.78489200  0.45203500  0.03059400  1
  F  F67  1  0.78489200  0.04796500  0.53059400  1
  F  F68  1  0.78489200  0.04796500  0.96940600  1
  F  F69  1  0.78489200  0.45203500  0.46940600  1
  F  F70  1  0.91062700  0.76000100  0.25000000  1
  F  F71  1  0.91062700  0.73999900  0.75000000  1
  F  F72  1  0.92691500  0.73836300  0.07768900  1
  F  F73  1  0.92691500  0.76163700  0.92231100  1
  F  F74  1  0.92691500  0.73836300  0.42231100  1
  F  F75  1  0.92691500  0.76163700  0.57768900  1
  F  F76  1  0.97017400  0.50255000  0.66787200  1
  F  F77  1  0.97017400  0.50255000  0.83212800  1
  F  F78  1  0.97017400  0.99745000  0.16787200  1
  F  F79  1  0.97017400  0.99745000  0.33212800  1
