data_K2GeBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   4.39
_cell_length_c   6.89
_cell_angle_alpha   90.0
_cell_angle_beta   111.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2GeBi
_chemical_formula_sum   'K2 Ge1 Bi1'
_cell_volume   149.7
_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  0.06  0.2  0.62  1.0
  K  K3  1  0.69  0.0  0.28  1.0
  Ge  Ge1  1  0.43  0.0  0.49  1.0
  Bi  Bi0  1  0.34  0.2  0.25  1.0

data_K2GeBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.39
_cell_length_b   5.3
_cell_length_c   6.89
_cell_angle_alpha   111.16
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2GeBi
_chemical_formula_sum   'K2 Ge1 Bi1'
_cell_volume   149.7
_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  0.31  0.72  1.0
  K  K1  1  0.8  0.94  0.38  1.0
  Ge  Ge2  1  0.0  0.57  0.51  1.0
  Bi  Bi3  1  0.8  0.66  0.75  1.0

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