data_KZnB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.18
_cell_length_b   4.18
_cell_length_c   6.25
_cell_angle_alpha   107.76
_cell_angle_beta   107.76
_cell_angle_gamma   44.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZnB2
_chemical_formula_sum   'K1 Zn1 B2'
_cell_volume   71.88
_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  0.65  0.0  0.77  1.0
  Zn  Zn3  1  0.58  0.0  0.39  1.0
  B  B0  1  0.63  0.0  0.34  1.0
  B  B1  1  0.65  0.0  0.36  1.0

data_KZnB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   4.18
_cell_length_c   6.25
_cell_angle_alpha   107.76
_cell_angle_beta   90.0
_cell_angle_gamma   112.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZnB2
_chemical_formula_sum   'K1 Zn1 B2'
_cell_volume   71.88
_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  0.35  0.23  1.0
  Zn  Zn1  1  0.0  0.42  0.61  1.0
  B  B2  1  0.0  0.35  0.64  1.0
  B  B3  1  0.0  0.37  0.66  1.0

K Zn B B