data_KGe2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   6.1
_cell_angle_alpha   104.64
_cell_angle_beta   104.64
_cell_angle_gamma   39.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KGe2Bi
_chemical_formula_sum   'K1 Ge2 Bi1'
_cell_volume   122.44
_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  0.69  0.0  0.09  1.0
  Ge  Ge1  1  0.62  0.0  0.83  1.0
  Ge  Ge2  1  0.7  0.0  0.82  1.0
  Bi  Bi0  1  0.63  0.0  0.96  1.0

data_KGe2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.89
_cell_length_b   5.69
_cell_length_c   6.1
_cell_angle_alpha   104.64
_cell_angle_beta   90.0
_cell_angle_gamma   109.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KGe2Bi
_chemical_formula_sum   'K1 Ge2 Bi1'
_cell_volume   122.44
_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  0.91  1.0
  Ge  Ge1  1  0.0  0.3  0.18  1.0
  Ge  Ge2  1  0.0  0.38  0.17  1.0
  Bi  Bi3  1  0.0  0.37  0.04  1.0

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