data_K2GeRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   3.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   126.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2GeRh
_chemical_formula_sum   'K2 Ge1 Rh1'
_cell_volume   98.37
_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  0.33  0.66  0.73  1.0
  K  K2  1  0.33  0.34  0.73  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.67  0.0  0.0  1.0

data_K2GeRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   5.34
_cell_length_c   5.95
_cell_angle_alpha   116.63
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2GeRh
_chemical_formula_sum   'K2 Ge1 Rh1'
_cell_volume   98.37
_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  0.73  0.34  0.67  1.0
  K  K1  1  0.73  0.66  1.0  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  -0.0  0.0  0.67  1.0

K K Ge Rh
K K Ge Rh 0 1 o o o 0 3 o + + 1 2 o o + 2 3 - o o 