data_KB2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   6.09
_cell_angle_alpha   110.32
_cell_angle_beta   110.32
_cell_angle_gamma   42.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KB2Au
_chemical_formula_sum   'K1 B2 Au1'
_cell_volume   75.05
_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  0.08  0.0  0.88  1.0
  B  B1  1  0.4  0.0  0.46  1.0
  B  B2  1  0.08  0.0  0.43  1.0
  Au  Au0  1  0.5  0.0  0.37  1.0

data_KB2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.44
_cell_length_c   6.09
_cell_angle_alpha   110.32
_cell_angle_beta   90.0
_cell_angle_gamma   111.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KB2Au
_chemical_formula_sum   'K1 B2 Au1'
_cell_volume   75.05
_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  0.92  0.12  1.0
  B  B1  1  0.0  0.6  0.54  1.0
  B  B2  1  0.0  0.92  0.57  1.0
  Au  Au3  1  0.0  0.5  0.63  1.0

K B B Au