data_BaPbAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.86
_cell_length_b   6.81
_cell_length_c   3.9
_cell_angle_alpha   74.17
_cell_angle_beta   72.74
_cell_angle_gamma   33.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaPbAu
_chemical_formula_sum   'Ba1 Pb1 Au1'
_cell_volume   94.9
_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
  Ba  Ba1  1  0.69  0.82  0.15  1.0
  Pb  Pb2  1  0.69  0.82  0.58  1.0
  Au  Au0  1  0.69  0.82  0.31  1.0

data_BaPbAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.38
_cell_length_b   12.52
_cell_length_c   3.9
_cell_angle_alpha   90.0
_cell_angle_beta   133.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaPbAu
_chemical_formula_sum   'Ba2 Pb2 Au2'
_cell_volume   189.79
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ba  Ba0  2  0.19  0.5  0.84  1.0
  Pb  Pb1  2  0.19  0.5  0.27  1.0
  Au  Au2  2  0.19  0.5  0.0  1.0

Ba Pb Au