data_AgBAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   5.54
_cell_length_c   5.54
_cell_angle_alpha   42.06
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgBAu2
_chemical_formula_sum   'Ag1 B1 Au2'
_cell_volume   64.65
_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
  Ag  Ag0  1  0.57  0.0  0.17  1.0
  B  B3  1  0.0  0.0  0.64  1.0
  Au  Au1  1  0.0  0.0  0.85  1.0
  Au  Au2  1  0.57  0.0  0.1  1.0

data_AgBAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   3.97
_cell_length_c   5.54
_cell_angle_alpha   111.03
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgBAu2
_chemical_formula_sum   'Ag1 B1 Au2'
_cell_volume   64.65
_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
  Ag  Ag0  1  0.43  0.17  0.17  1.0
  B  B1  1  0.0  0.64  0.64  1.0
  Au  Au2  1  0.0  0.85  0.85  1.0
  Au  Au3  1  0.43  0.1  0.1  1.0

Ag B Au Au
Ag B Au Au 0 3 o o o 1 2 o o o 