data_KSi2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93
_cell_length_b   5.93
_cell_length_c   5.93
_cell_angle_alpha   143.86
_cell_angle_beta   114.3
_cell_angle_gamma   77.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSi2Ge
_chemical_formula_sum   'K1 Si2 Ge1'
_cell_volume   109.31
_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  0.0  0.0  0.21  1.0
  Si  Si2  1  0.0  0.21  0.86  1.0
  Si  Si3  1  0.0  0.0  0.04  1.0
  Ge  Ge0  1  0.0  0.21  0.76  1.0

data_KSi2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   5.93
_cell_length_c   5.93
_cell_angle_alpha   65.7
_cell_angle_beta   71.93
_cell_angle_gamma   71.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSi2Ge
_chemical_formula_sum   'K1 Si2 Ge1'
_cell_volume   109.31
_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  0.21  -0.0  0.79  1.0
  Si  Si1  1  0.04  -0.0  0.96  1.0
  Si  Si2  1  0.86  0.0  0.35  1.0
  Ge  Ge3  1  0.76  0.0  0.46  1.0

K Si Si Ge
K Si Si Ge 0 2 o o o 1 3 o o o 