data_K2ZnBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.73
_cell_length_b   5.4
_cell_length_c   7.09
_cell_angle_alpha   90.0
_cell_angle_beta   92.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ZnBi
_chemical_formula_sum   'K2 Zn1 Bi1'
_cell_volume   142.5
_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  K1  1  0.69  0.7  0.25  1.0
  K  K2  1  0.76  0.7  0.83  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.86  0.0  0.54  1.0

data_K2ZnBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   5.4
_cell_length_c   7.09
_cell_angle_alpha   90.0
_cell_angle_beta   92.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ZnBi
_chemical_formula_sum   'K2 Zn1 Bi1'
_cell_volume   142.5
_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  0.69  0.7  0.25  1.0
  K  K1  1  0.76  0.7  0.83  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  0.86  0.0  0.54  1.0

K K Zn Bi
K K Zn Bi 0 2 + + o 0 1 o o - 0 3 o + o 1 2 + + + 1 3 o + o 