data_BPbAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   142.55
_cell_angle_beta   116.27
_cell_angle_gamma   76.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BPbAu2
_chemical_formula_sum   'B1 Pb1 Au2'
_cell_volume   76.18
_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
  B  B2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.11  1.0
  Au  Au0  1  0.68  0.0  0.6  1.0
  Au  Au1  1  0.0  0.76  0.51  1.0

data_BPbAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   63.73
_cell_angle_beta   71.28
_cell_angle_gamma   71.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BPbAu2
_chemical_formula_sum   'B1 Pb1 Au2'
_cell_volume   76.18
_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
  B  B0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.0  -0.0  0.11  1.0
  Au  Au2  1  0.0  0.32  0.6  1.0
  Au  Au3  1  0.76  0.0  0.75  1.0

B Pb Au Au