data_KTi2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07
_cell_length_b   6.07
_cell_length_c   2.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTi2In
_chemical_formula_sum   'K1 Ti2 In1'
_cell_volume   92.78
_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
  Ti  Ti2  1  0.58  0.59  0.42  1.0
  Ti  Ti3  1  0.58  0.41  0.42  1.0
  In  In0  1  0.16  0.0  0.0  1.0

data_KTi2In
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   6.07
_cell_length_c   6.07
_cell_angle_alpha   117.23
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTi2In
_chemical_formula_sum   'K1 Ti2 In1'
_cell_volume   92.78
_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
  Ti  Ti1  1  0.42  0.58  0.41  1.0
  Ti  Ti2  1  0.42  0.58  0.59  1.0
  In  In3  1  -0.0  0.16  0.0  1.0

K Ti Ti In
K Ti Ti In 0 3 o o o 1 2 o o o 