data_KGeBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.53
_cell_length_b   4.8
_cell_length_c   7.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KGeBi2
_chemical_formula_sum   'K1 Ge1 Bi2'
_cell_volume   128.12
_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  K3  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.0  0.0  0.78  1.0
  Bi  Bi0  1  0.76  0.4  0.23  1.0
  Bi  Bi1  1  0.76  0.4  0.32  1.0

data_KGeBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   4.8
_cell_length_c   7.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KGeBi2
_chemical_formula_sum   'K1 Ge1 Bi2'
_cell_volume   128.12
_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
  Ge  Ge1  1  0.0  0.0  0.78  1.0
  Bi  Bi2  1  0.76  0.4  0.23  1.0
  Bi  Bi3  1  0.76  0.4  0.32  1.0

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