data_KTcGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   2.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTcGe2
_chemical_formula_sum   'K1 Tc1 Ge2'
_cell_volume   79.21
_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  0.0  1.0
  Tc  Tc3  1  0.14  0.0  0.0  1.0
  Ge  Ge0  1  0.57  0.83  0.45  1.0
  Ge  Ge1  1  0.57  0.17  0.45  1.0

data_KTcGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   5.37
_cell_length_c   5.37
_cell_angle_alpha   108.31
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTcGe2
_chemical_formula_sum   'K1 Tc1 Ge2'
_cell_volume   79.21
_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
  Tc  Tc1  1  0.0  0.14  0.0  1.0
  Ge  Ge2  1  0.45  0.57  0.17  1.0
  Ge  Ge3  1  0.45  0.57  0.83  1.0

K Tc Ge Ge
K Tc Ge Ge 0 1 o o o 2 3 o + o 