data_KB2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.32
_cell_length_b   3.32
_cell_length_c   7.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   122.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KB2Au
_chemical_formula_sum   'K1 B2 Au1'
_cell_volume   72.82
_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  0.0  0.0  0.22  1.0
  B  B1  1  0.0  0.0  0.07  1.0
  B  B2  1  0.6  0.0  0.94  1.0
  Au  Au0  1  0.6  0.0  0.36  1.0

data_KB2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   3.32
_cell_length_c   7.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KB2Au
_chemical_formula_sum   'K1 B2 Au1'
_cell_volume   72.82
_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  0.22  1.0
  B  B1  1  0.0  0.0  0.07  1.0
  B  B2  1  0.0  0.6  0.94  1.0
  Au  Au3  1  0.0  0.6  0.36  1.0

K B B Au