data_KFe2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.69
_cell_length_b   3.69
_cell_length_c   7.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KFe2Ge
_chemical_formula_sum   'K1 Fe2 Ge1'
_cell_volume   75.8
_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  K3  1  0.0  0.0  0.74  1.0
  Fe  Fe0  1  0.34  0.85  0.8  1.0
  Fe  Fe1  1  0.0  0.0  0.73  1.0
  Ge  Ge2  1  0.34  0.85  0.18  1.0

data_KFe2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   3.69
_cell_length_c   7.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KFe2Ge
_chemical_formula_sum   'K1 Fe2 Ge1'
_cell_volume   75.8
_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  0.74  1.0
  Fe  Fe1  1  0.0  0.0  0.73  1.0
  Fe  Fe2  1  0.34  0.85  0.8  1.0
  Ge  Ge3  1  0.34  0.85  0.18  1.0

K Fe Fe Ge