# generated using pymatgen
data_KTiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79865428
_cell_length_b   5.79865428
_cell_length_c   9.65299700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000324
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTiO3
_chemical_formula_sum   'K4 Ti4 O12'
_cell_volume   281.09118249
_cell_formula_units_Z   4
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  0.00000000  0.00000000  0.50000000  1.0
  K  K1  1  0.00000000  0.00000000  0.00000000  1.0
  K  K2  1  0.66666700  0.33333300  0.25000000  1.0
  K  K3  1  0.33333300  0.66666700  0.75000000  1.0
  Ti  Ti4  1  0.33333300  0.66666700  0.40604900  1.0
  Ti  Ti5  1  0.66666700  0.33333300  0.59395100  1.0
  Ti  Ti6  1  0.66666700  0.33333300  0.90604900  1.0
  Ti  Ti7  1  0.33333300  0.66666700  0.09395100  1.0
  O  O8  1  0.50000000  0.50000000  0.50000000  1.0
  O  O9  1  0.50000000  0.00000000  0.50000000  1.0
  O  O10  1  0.00000000  0.50000000  0.50000000  1.0
  O  O11  1  0.50000000  0.50000000  0.00000000  1.0
  O  O12  1  0.50000000  0.00000000  0.00000000  1.0
  O  O13  1  0.00000000  0.50000000  0.00000000  1.0
  O  O14  1  0.19516800  0.80483200  0.25000000  1.0
  O  O15  1  0.19516800  0.39033700  0.25000000  1.0
  O  O16  1  0.60966300  0.80483200  0.25000000  1.0
  O  O17  1  0.80483200  0.19516800  0.75000000  1.0
  O  O18  1  0.80483200  0.60966300  0.75000000  1.0
  O  O19  1  0.39033700  0.19516800  0.75000000  1.0