data_KTiSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.89
_cell_length_b   3.54
_cell_length_c   7.15
_cell_angle_alpha   90.0
_cell_angle_beta   94.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTiSi2
_chemical_formula_sum   'K1 Ti1 Si2'
_cell_volume   98.04
_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
  K  K0  1  0.49  0.0  0.53  1.0
  Ti  Ti3  1  0.96  0.77  0.91  1.0
  Si  Si1  1  0.02  0.77  0.55  1.0
  Si  Si2  1  0.02  0.0  0.83  1.0

data_KTiSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   3.89
_cell_length_c   7.15
_cell_angle_alpha   94.34
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTiSi2
_chemical_formula_sum   'K1 Ti1 Si2'
_cell_volume   98.04
_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
  K  K0  1  0.0  0.51  0.47  1.0
  Ti  Ti1  1  0.23  0.04  0.09  1.0
  Si  Si2  1  0.0  0.98  0.17  1.0
  Si  Si3  1  0.23  0.98  0.45  1.0

K Ti Si Si
K Ti Si Si 0 2 o - o 0 2 + - o 1 3 + + o 2 3 o + o 