# generated using pymatgen
data_LiTiCoF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.80142110
_cell_length_b   8.80142110
_cell_length_c   4.65674800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999322
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTiCoF6
_chemical_formula_sum   'Li3 Ti3 Co3 F18'
_cell_volume   312.40573519
_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  0.68707900  0.00000000  0.50000000  1
  Li  Li1  1  0.00000000  0.68707900  0.50000000  1
  Li  Li2  1  0.31292100  0.31292100  0.50000000  1
  Ti  Ti3  1  0.34535200  0.00000000  0.00000000  1
  Ti  Ti4  1  0.00000000  0.34535200  0.00000000  1
  Ti  Ti5  1  0.65464800  0.65464800  0.00000000  1
  Co  Co6  1  0.00000000  0.00000000  0.00000000  1
  Co  Co7  1  0.33333300  0.66666700  0.49166800  1
  Co  Co8  1  0.66666700  0.33333300  0.50833200  1
  F  F9  1  0.10062500  0.55202100  0.24118000  1
  F  F10  1  0.44797900  0.54860400  0.24118000  1
  F  F11  1  0.55202100  0.10062500  0.75882000  1
  F  F12  1  0.45139600  0.89937500  0.24118000  1
  F  F13  1  0.54860400  0.44797900  0.75882000  1
  F  F14  1  0.89937500  0.45139600  0.75882000  1
  F  F15  1  0.10980400  0.24092600  0.23743800  1
  F  F16  1  0.75907400  0.86887800  0.23743800  1
  F  F17  1  0.24092600  0.10980400  0.76256200  1
  F  F18  1  0.13112200  0.89019600  0.23743800  1
  F  F19  1  0.86887800  0.75907400  0.76256200  1
  F  F20  1  0.89019600  0.13112200  0.76256200  1
  F  F21  1  0.43884700  0.20303600  0.24835300  1
  F  F22  1  0.79696400  0.23581100  0.24835300  1
  F  F23  1  0.20303600  0.43884700  0.75164700  1
  F  F24  1  0.76418900  0.56115300  0.24835300  1
  F  F25  1  0.23581100  0.79696400  0.75164700  1
  F  F26  1  0.56115300  0.76418900  0.75164700  1
