# generated using pymatgen
data_KTiCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.63125637
_cell_length_b   12.63125637
_cell_length_c   5.63352500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000192
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTiCl3
_chemical_formula_sum   'K6 Ti6 Cl18'
_cell_volume   778.40201000
_cell_formula_units_Z   6
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  0.66210300  0.99597000  0.67681700  1.0
  K  K1  1  0.00403000  0.66613300  0.67681700  1.0
  K  K2  1  0.33789700  0.00403000  0.17681700  1.0
  K  K3  1  0.66613300  0.66210300  0.17681700  1.0
  K  K4  1  0.33386700  0.33789700  0.67681700  1.0
  K  K5  1  0.99597000  0.33386700  0.17681700  1.0
  Ti  Ti6  1  0.00000000  0.00000000  0.51210700  1.0
  Ti  Ti7  1  0.66666700  0.33333300  0.85561900  1.0
  Ti  Ti8  1  0.66666700  0.33333300  0.40769200  1.0
  Ti  Ti9  1  0.00000000  0.00000000  0.01210700  1.0
  Ti  Ti10  1  0.33333300  0.66666700  0.35561900  1.0
  Ti  Ti11  1  0.33333300  0.66666700  0.90769200  1.0
  Cl  Cl12  1  0.51620900  0.82007400  0.13237900  1.0
  Cl  Cl13  1  0.48379100  0.17992600  0.63237900  1.0
  Cl  Cl14  1  0.83912800  0.47903800  0.13052800  1.0
  Cl  Cl15  1  0.30386500  0.48379100  0.13237900  1.0
  Cl  Cl16  1  0.63991000  0.16087200  0.13052800  1.0
  Cl  Cl17  1  0.18077000  0.14464700  0.26207100  1.0
  Cl  Cl18  1  0.16087200  0.52096200  0.63052800  1.0
  Cl  Cl19  1  0.85535300  0.03612200  0.26207100  1.0
  Cl  Cl20  1  0.14464700  0.96387800  0.76207100  1.0
  Cl  Cl21  1  0.96387800  0.81923000  0.26207100  1.0
  Cl  Cl22  1  0.81923000  0.85535300  0.76207100  1.0
  Cl  Cl23  1  0.82007400  0.30386500  0.63237900  1.0
  Cl  Cl24  1  0.03612200  0.18077000  0.76207100  1.0
  Cl  Cl25  1  0.17992600  0.69613500  0.13237900  1.0
  Cl  Cl26  1  0.69613500  0.51620900  0.63237900  1.0
  Cl  Cl27  1  0.36009000  0.83912800  0.63052800  1.0
  Cl  Cl28  1  0.47903800  0.63991000  0.63052800  1.0
  Cl  Cl29  1  0.52096200  0.36009000  0.13052800  1.0