data_K2TiCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.68
_cell_length_b   3.7
_cell_length_c   8.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TiCl
_chemical_formula_sum   'K2 Ti1 Cl1'
_cell_volume   110.6
_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  K1  1  0.59  0.85  0.68  1.0
  K  K2  1  0.05  0.85  0.43  1.0
  Ti  Ti3  1  0.98  0.0  0.06  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_K2TiCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   3.7
_cell_length_c   8.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TiCl
_chemical_formula_sum   'K2 Ti1 Cl1'
_cell_volume   110.6
_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  0.05  0.85  0.43  1.0
  K  K1  1  0.59  0.85  0.68  1.0
  Ti  Ti2  1  0.98  0.0  0.06  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

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