data_K2TiCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.48
_cell_length_b   4.28
_cell_length_c   5.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TiCo
_chemical_formula_sum   'K2 Ti1 Co1'
_cell_volume   87.96
_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  0.0  0.0  0.0  1.0
  K  K2  1  0.74  0.14  0.0  1.0
  Ti  Ti3  1  0.74  0.0  0.95  1.0
  Co  Co0  1  0.0  0.14  0.95  1.0

data_K2TiCo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   4.28
_cell_length_c   5.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TiCo
_chemical_formula_sum   'K2 Ti1 Co1'
_cell_volume   87.96
_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  0.0  1.0
  K  K1  1  0.74  0.14  0.0  1.0
  Ti  Ti2  1  0.74  0.0  0.95  1.0
  Co  Co3  1  0.0  0.14  0.95  1.0

K K Ti Co
K K Ti Co 0 3 o o - 1 2 o o - 