data_KTi2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08
_cell_length_b   3.09
_cell_length_c   8.96
_cell_angle_alpha   90.0
_cell_angle_beta   91.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTi2Ni
_chemical_formula_sum   'K1 Ti2 Ni1'
_cell_volume   85.42
_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  0.92  0.0  0.8  1.0
  Ti  Ti2  1  0.81  0.0  0.64  1.0
  Ti  Ti3  1  0.58  0.55  0.49  1.0
  Ni  Ni1  1  0.25  0.55  0.46  1.0

data_KTi2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   3.09
_cell_length_c   8.96
_cell_angle_alpha   90.0
_cell_angle_beta   91.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTi2Ni
_chemical_formula_sum   'K1 Ti2 Ni1'
_cell_volume   85.42
_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  0.92  0.0  0.8  1.0
  Ti  Ti1  1  0.58  0.55  0.49  1.0
  Ti  Ti2  1  0.81  0.0  0.64  1.0
  Ni  Ni3  1  0.25  0.55  0.46  1.0

K Ti Ti Ni