# generated using pymatgen
data_LiTl6C2(O3F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.69316000
_cell_length_b   7.44732093
_cell_length_c   8.24570115
_cell_angle_alpha   117.79398318
_cell_angle_beta   79.23737504
_cell_angle_gamma   92.31518497
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTl6C2(O3F)2
_chemical_formula_sum   'Li1 Tl6 C2 O6 F2'
_cell_volume   356.68561078
_cell_formula_units_Z   1
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  0.01538200  0.95669200  0.01549400  1
  Tl  Tl1  1  0.26949900  0.59568900  0.40076400  1
  Tl  Tl2  1  0.74016200  0.91460700  0.68757200  1
  Tl  Tl3  1  0.79250400  0.36807900  0.55976200  1
  Tl  Tl4  1  0.31784700  0.06005500  0.33291500  1
  Tl  Tl5  1  0.23994900  0.27133300  0.85640800  1
  Tl  Tl6  1  0.67468400  0.65168600  0.08322600  1
  C  C7  1  0.22466700  0.67258600  0.82040700  1
  C  C8  1  0.73717600  0.29683000  0.15487600  1
  O  O9  1  0.14349600  0.71206700  0.99166900  1
  O  O10  1  0.18690900  0.80597300  0.76575000  1
  O  O11  1  0.33481800  0.50817700  0.70681300  1
  O  O12  1  0.71570600  0.26766500  0.99060400  1
  O  O13  1  0.80704000  0.15062800  0.17695000  1
  O  O14  1  0.69062300  0.47634500  0.29816800  1
  F  F15  1  0.03312800  0.08588700  0.58714600  1
  F  F16  1  0.54515800  0.09736900  0.57147500  1
