# generated using pymatgen
data_K3Ti2Cl9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.02546949
_cell_length_b   7.02546931
_cell_length_c   17.28708836
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000085
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K3Ti2Cl9
_chemical_formula_sum   'K6 Ti4 Cl18'
_cell_volume   738.92978497
_cell_formula_units_Z   2
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
  K  K0  1  0.33333300  0.66666700  0.06655532  1.0
  K  K1  1  0.33333300  0.66666700  0.43581173  1.0
  K  K2  1  0.00000000  0.00000000  0.25177860  1.0
  K  K3  1  0.00000000  0.00000000  0.75177860  1.0
  K  K4  1  0.66666700  0.33333300  0.93581173  1.0
  K  K5  1  0.66666700  0.33333300  0.56655532  1.0
  Ti  Ti6  1  0.33333300  0.66666700  0.83918627  1.0
  Ti  Ti7  1  0.33333300  0.66666700  0.66279745  1.0
  Ti  Ti8  1  0.66666700  0.33333300  0.33918627  1.0
  Ti  Ti9  1  0.66666700  0.33333300  0.16279745  1.0
  Cl  Cl10  1  0.17021526  0.82978474  0.59046994  1.0
  Cl  Cl11  1  0.17030824  0.82969176  0.91164087  1.0
  Cl  Cl12  1  0.00729237  0.50364618  0.75098073  1.0
  Cl  Cl13  1  0.49635382  0.99270763  0.75098073  1.0
  Cl  Cl14  1  0.17030824  0.34061547  0.91164087  1.0
  Cl  Cl15  1  0.17021526  0.34043152  0.59046994  1.0
  Cl  Cl16  1  0.49635382  0.50364618  0.75098073  1.0
  Cl  Cl17  1  0.65938453  0.82969176  0.91164087  1.0
  Cl  Cl18  1  0.65956848  0.82978474  0.59046994  1.0
  Cl  Cl19  1  0.34061547  0.17030824  0.41164087  1.0
  Cl  Cl20  1  0.34043152  0.17021526  0.09046994  1.0
  Cl  Cl21  1  0.50364618  0.49635382  0.25098073  1.0
  Cl  Cl22  1  0.82978474  0.65956848  0.09046994  1.0
  Cl  Cl23  1  0.82969176  0.65938453  0.41164087  1.0
  Cl  Cl24  1  0.50364618  0.00729237  0.25098073  1.0
  Cl  Cl25  1  0.99270763  0.49635382  0.25098073  1.0
  Cl  Cl26  1  0.82978474  0.17021526  0.09046994  1.0
  Cl  Cl27  1  0.82969176  0.17030824  0.41164087  1.0