data_KTiGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.02
_cell_length_b   8.02
_cell_length_c   8.02
_cell_angle_alpha   158.63
_cell_angle_beta   148.78
_cell_angle_gamma   38.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTiGe2
_chemical_formula_sum   'K1 Ti1 Ge2'
_cell_volume   97.48
_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  K2  1  0.0  0.0  0.37  1.0
  Ti  Ti3  1  0.0  0.16  0.23  1.0
  Ge  Ge0  1  0.0  0.0  0.96  1.0
  Ge  Ge1  1  0.49  0.0  0.78  1.0

data_KTiGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.32
_cell_length_c   8.02
_cell_angle_alpha   105.61
_cell_angle_beta   100.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTiGe2
_chemical_formula_sum   'K1 Ti1 Ge2'
_cell_volume   97.48
_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  0.63  0.63  0.63  1.0
  Ti  Ti1  1  0.77  0.93  0.93  1.0
  Ge  Ge2  1  0.04  0.04  0.04  1.0
  Ge  Ge3  1  0.71  0.22  0.71  1.0

K Ti Ge Ge