data_KZn2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.6
_cell_length_b   3.6
_cell_length_c   8.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZn2Bi
_chemical_formula_sum   'K1 Zn2 Bi1'
_cell_volume   107.6
_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  0.0  0.0  0.47  1.0
  Zn  Zn2  1  0.8  0.8  0.65  1.0
  Zn  Zn3  1  0.0  0.0  0.65  1.0
  Bi  Bi0  1  0.8  0.8  0.7  1.0

data_KZn2Bi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   8.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KZn2Bi
_chemical_formula_sum   'K2 Zn4 Bi2'
_cell_volume   215.2
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.47  1.0
  Zn  Zn1  2  0.0  0.0  0.65  1.0
  Zn  Zn2  2  0.3  0.5  0.65  1.0
  Bi  Bi3  2  0.3  0.5  0.7  1.0

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