data_KHfTi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   7.77
_cell_angle_alpha   93.27
_cell_angle_beta   93.27
_cell_angle_gamma   35.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHfTi2
_chemical_formula_sum   'K1 Hf1 Ti2'
_cell_volume   108.67
_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  0.91  0.0  0.87  1.0
  Hf  Hf0  1  0.55  0.0  0.62  1.0
  Ti  Ti2  1  0.82  0.0  0.96  1.0
  Ti  Ti3  1  0.01  0.0  0.95  1.0

data_KHfTi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   4.92
_cell_length_c   7.77
_cell_angle_alpha   93.27
_cell_angle_beta   90.0
_cell_angle_gamma   107.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHfTi2
_chemical_formula_sum   'K1 Hf1 Ti2'
_cell_volume   108.67
_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  0.09  0.13  1.0
  Hf  Hf1  1  0.0  0.45  0.38  1.0
  Ti  Ti2  1  0.0  0.18  0.04  1.0
  Ti  Ti3  1  0.0  0.99  0.05  1.0

K Hf Ti Ti