data_K2TiCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   8.93
_cell_angle_alpha   94.91
_cell_angle_beta   94.91
_cell_angle_gamma   38.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TiCd
_chemical_formula_sum   'K2 Ti1 Cd1'
_cell_volume   152.08
_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  0.11  0.0  0.55  1.0
  K  K2  1  0.85  0.0  0.15  1.0
  Ti  Ti3  1  0.48  0.0  0.74  1.0
  Cd  Cd0  1  0.24  0.0  0.91  1.0

data_K2TiCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   5.25
_cell_length_c   8.93
_cell_angle_alpha   94.91
_cell_angle_beta   90.0
_cell_angle_gamma   109.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TiCd
_chemical_formula_sum   'K2 Ti1 Cd1'
_cell_volume   152.08
_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  0.15  0.85  1.0
  K  K1  1  0.0  0.89  0.45  1.0
  Ti  Ti2  1  0.0  0.52  0.26  1.0
  Cd  Cd3  1  0.0  0.76  0.09  1.0

K K Ti Cd