data_KTi2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.48
_cell_length_b   6.48
_cell_length_c   6.48
_cell_angle_alpha   155.8
_cell_angle_beta   127.55
_cell_angle_gamma   58.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTi2Si
_chemical_formula_sum   'K1 Ti2 Si1'
_cell_volume   87.91
_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  0.0  0.65  1.0
  Ti  Ti2  1  0.0  0.86  0.43  1.0
  Ti  Ti3  1  0.36  0.0  0.22  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0

data_KTi2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   5.73
_cell_length_c   6.48
_cell_angle_alpha   116.22
_cell_angle_beta   102.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTi2Si
_chemical_formula_sum   'K1 Ti2 Si1'
_cell_volume   87.91
_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  0.65  0.65  1.0
  Ti  Ti1  1  0.0  0.22  0.86  1.0
  Ti  Ti2  1  0.14  0.57  0.57  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

K Ti Ti Si