data_KTiZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   6.4
_cell_angle_alpha   100.18
_cell_angle_beta   100.18
_cell_angle_gamma   30.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTiZn2
_chemical_formula_sum   'K1 Ti1 Zn2'
_cell_volume   91.57
_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  0.76  0.0  0.36  1.0
  Ti  Ti1  1  0.31  0.0  0.77  1.0
  Zn  Zn2  1  0.2  0.0  0.27  1.0
  Zn  Zn3  1  0.02  0.0  0.05  1.0

data_KTiZn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   5.39
_cell_length_c   6.4
_cell_angle_alpha   100.18
_cell_angle_beta   90.0
_cell_angle_gamma   105.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTiZn2
_chemical_formula_sum   'K1 Ti1 Zn2'
_cell_volume   91.57
_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  0.24  0.64  1.0
  Ti  Ti1  1  0.0  0.69  0.23  1.0
  Zn  Zn2  1  0.0  0.8  0.73  1.0
  Zn  Zn3  1  0.0  0.98  0.95  1.0

K Ti Zn Zn