data_KZnB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.59
_cell_length_b   2.94
_cell_length_c   7.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZnB2
_chemical_formula_sum   'K1 Zn1 B2'
_cell_volume   58.37
_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  K2  1  0.0  0.0  0.16  1.0
  Zn  Zn3  1  0.3  0.47  0.31  1.0
  B  B0  1  0.0  0.0  0.94  1.0
  B  B1  1  0.3  0.47  0.74  1.0

data_KZnB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.59
_cell_length_b   2.94
_cell_length_c   7.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZnB2
_chemical_formula_sum   'K1 Zn1 B2'
_cell_volume   58.37
_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  0.16  1.0
  Zn  Zn1  1  0.3  0.47  0.31  1.0
  B  B2  1  0.0  0.0  0.94  1.0
  B  B3  1  0.3  0.47  0.74  1.0

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