data_KAlB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34
_cell_length_b   3.34
_cell_length_c   7.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   123.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAlB2
_chemical_formula_sum   'K1 Al1 B2'
_cell_volume   71.7
_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  0.58  0.0  0.21  1.0
  Al  Al0  1  0.0  0.0  0.24  1.0
  B  B1  1  0.58  0.0  0.08  1.0
  B  B2  1  0.0  0.0  0.79  1.0

data_KAlB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   3.34
_cell_length_c   7.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAlB2
_chemical_formula_sum   'K1 Al1 B2'
_cell_volume   71.7
_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  0.58  0.21  1.0
  Al  Al1  1  0.0  0.0  0.24  1.0
  B  B2  1  0.0  0.0  0.79  1.0
  B  B3  1  0.0  0.58  0.08  1.0

K Al B B