data_KBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.95
_cell_length_b   9.95
_cell_length_c   5.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   159.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBi2
_chemical_formula_sum   'K2 Bi4'
_cell_volume   204.13
_cell_formula_units_Z   2
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  K4  1  0.77  0.63  0.43  1.0
  K  K5  1  0.77  0.37  0.48  1.0
  Bi  Bi0  1  0.77  0.53  0.43  1.0
  Bi  Bi1  1  0.77  0.14  0.43  1.0
  Bi  Bi2  1  0.77  0.47  0.48  1.0
  Bi  Bi3  1  0.77  0.86  0.48  1.0

data_KBi2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.53
_cell_length_b   5.9
_cell_length_c   9.95
_cell_angle_alpha   90.0
_cell_angle_beta   100.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   KBi2
_chemical_formula_sum   'K2 Bi4'
_cell_volume   204.13
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.37  0.48  0.37  1.0
  Bi  Bi1  2  0.14  0.52  0.14  1.0
  Bi  Bi2  2  0.47  0.48  0.47  1.0

K K Bi Bi Bi Bi