data_KHfBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.3
_cell_length_b   4.3
_cell_length_c   9.49
_cell_angle_alpha   97.2
_cell_angle_beta   97.2
_cell_angle_gamma   46.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHfBi2
_chemical_formula_sum   'K1 Hf1 Bi2'
_cell_volume   126.9
_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
  Hf  Hf2  1  0.3  0.0  0.7  1.0
  Bi  Bi0  1  0.96  0.0  0.69  1.0
  Bi  Bi1  1  0.64  0.0  0.71  1.0

data_KHfBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   4.3
_cell_length_c   9.49
_cell_angle_alpha   97.2
_cell_angle_beta   90.0
_cell_angle_gamma   113.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHfBi2
_chemical_formula_sum   'K1 Hf1 Bi2'
_cell_volume   126.9
_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
  Hf  Hf1  1  0.0  0.7  0.3  1.0
  Bi  Bi2  1  0.0  0.04  0.31  1.0
  Bi  Bi3  1  0.0  0.36  0.29  1.0

K Hf Bi Bi