data_ZnBAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   146.45
_cell_angle_beta   106.31
_cell_angle_gamma   83.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnBAu2
_chemical_formula_sum   'Zn1 B1 Au2'
_cell_volume   68.65
_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
  Zn  Zn3  1  0.0  0.0  0.81  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.06  0.25  1.0
  Au  Au1  1  0.47  0.0  0.56  1.0

data_ZnBAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   73.69
_cell_angle_beta   73.23
_cell_angle_gamma   73.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnBAu2
_chemical_formula_sum   'Zn1 B1 Au2'
_cell_volume   68.65
_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
  Zn  Zn0  1  0.0  -0.0  0.81  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Au  Au2  1  0.0  0.53  0.56  1.0
  Au  Au3  1  0.06  0.0  0.19  1.0

Zn B Au Au