data_KMnGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08
_cell_length_b   3.13
_cell_length_c   7.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMnGe2
_chemical_formula_sum   'K1 Mn1 Ge2'
_cell_volume   75.74
_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
  Mn  Mn3  1  0.93  0.0  0.94  1.0
  Ge  Ge0  1  0.47  0.56  0.29  1.0
  Ge  Ge1  1  0.47  0.56  0.58  1.0

data_KMnGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   3.13
_cell_length_c   7.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMnGe2
_chemical_formula_sum   'K1 Mn1 Ge2'
_cell_volume   75.74
_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
  Mn  Mn1  1  0.93  0.0  0.94  1.0
  Ge  Ge2  1  0.47  0.56  0.58  1.0
  Ge  Ge3  1  0.47  0.56  0.29  1.0

K Mn Ge Ge
K Mn Ge Ge 0 1 - o - 2 3 o o o 