data_K2FeGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.24
_cell_length_b   6.24
_cell_length_c   6.24
_cell_angle_alpha   140.96
_cell_angle_beta   140.96
_cell_angle_gamma   56.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2FeGe
_chemical_formula_sum   'K2 Fe1 Ge1'
_cell_volume   95.59
_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  0.08  0.75  1.0
  K  K3  1  0.08  0.0  0.75  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.0  0.0  0.5  1.0

data_K2FeGe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.9
_cell_length_b   5.9
_cell_length_c   6.24
_cell_angle_alpha   90.0
_cell_angle_beta   118.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   K2FeGe
_chemical_formula_sum   'K4 Fe2 Ge2'
_cell_volume   191.18
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.04  0.04  0.34  1.0
  Fe  Fe1  2  0.0  0.0  0.0  1.0
  Ge  Ge2  2  0.0  0.0  0.5  1.0

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