# generated using pymatgen
data_LiTiNiF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.76178491
_cell_length_b   8.76178491
_cell_length_c   4.62577300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999177
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTiNiF6
_chemical_formula_sum   'Li3 Ti3 Ni3 F18'
_cell_volume   307.53897308
_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  0.68982400  0.00000000  0.50000000  1
  Li  Li1  1  0.00000000  0.68982400  0.50000000  1
  Li  Li2  1  0.31017600  0.31017600  0.50000000  1
  Ti  Ti3  1  0.35061100  0.00000000  0.00000000  1
  Ti  Ti4  1  0.00000000  0.35061100  0.00000000  1
  Ti  Ti5  1  0.64938900  0.64938900  0.00000000  1
  Ni  Ni6  1  0.00000000  0.00000000  0.00000000  1
  Ni  Ni7  1  0.33333300  0.66666700  0.49081100  1
  Ni  Ni8  1  0.66666700  0.33333300  0.50918900  1
  F  F9  1  0.10992400  0.56671700  0.25655800  1
  F  F10  1  0.43328300  0.54320700  0.25655800  1
  F  F11  1  0.56671700  0.10992400  0.74344200  1
  F  F12  1  0.45679300  0.89007600  0.25655800  1
  F  F13  1  0.54320700  0.43328300  0.74344200  1
  F  F14  1  0.89007600  0.45679300  0.74344200  1
  F  F15  1  0.10427200  0.22704200  0.22893200  1
  F  F16  1  0.77295800  0.87723000  0.22893200  1
  F  F17  1  0.22704200  0.10427200  0.77106800  1
  F  F18  1  0.12277000  0.89572800  0.22893200  1
  F  F19  1  0.87723000  0.77295800  0.77106800  1
  F  F20  1  0.89572800  0.12277000  0.77106800  1
  F  F21  1  0.44577800  0.20455300  0.25989500  1
  F  F22  1  0.79544700  0.24122500  0.25989500  1
  F  F23  1  0.20455300  0.44577800  0.74010500  1
  F  F24  1  0.75877500  0.55422200  0.25989500  1
  F  F25  1  0.24122500  0.79544700  0.74010500  1
  F  F26  1  0.55422200  0.75877500  0.74010500  1
