# generated using pymatgen
data_Cs(TiSe2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22450284
_cell_length_b   6.22450275
_cell_length_c   9.21717918
_cell_angle_alpha   96.48019465
_cell_angle_beta   96.48020108
_cell_angle_gamma   119.96857725
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cs(TiSe2)3
_chemical_formula_sum   'Cs1 Ti3 Se6'
_cell_volume   301.39162468
_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
  Cs  Cs0  1  0.00000000  0.00000000  0.50000000  1.0
  Ti  Ti1  1  0.83407574  0.16592426  1.00000000  1.0
  Ti  Ti2  1  0.50000000  0.50000000  0.00000000  1.0
  Ti  Ti3  1  0.16592426  0.83407574  0.00000000  1.0
  Se  Se4  1  0.22530482  0.22530482  0.16900825  1.0
  Se  Se5  1  0.88983479  0.55426716  0.16869974  1.0
  Se  Se6  1  0.55426716  0.88983479  0.16869974  1.0
  Se  Se7  1  0.44573284  0.11016521  0.83130126  1.0
  Se  Se8  1  0.11016521  0.44573284  0.83130126  1.0
  Se  Se9  1  0.77469718  0.77469718  0.83099275  1.0