data_KMn2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.28
_cell_length_b   6.28
_cell_length_c   6.28
_cell_angle_alpha   152.7
_cell_angle_beta   125.43
_cell_angle_gamma   62.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMn2Ge
_chemical_formula_sum   'K1 Mn2 Ge1'
_cell_volume   92.04
_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  0.0  1.0
  Mn  Mn2  1  0.0  0.88  0.08  1.0
  Mn  Mn3  1  0.48  0.0  0.31  1.0
  Ge  Ge0  1  0.0  0.0  0.38  1.0

data_KMn2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   5.76
_cell_length_c   6.28
_cell_angle_alpha   117.29
_cell_angle_beta   103.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMn2Ge
_chemical_formula_sum   'K1 Mn2 Ge1'
_cell_volume   92.04
_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  0.18  0.69  0.18  1.0
  Mn  Mn2  1  0.92  0.8  0.8  1.0
  Ge  Ge3  1  0.62  0.62  0.62  1.0

K Mn Mn Ge