data_PdPb4Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   5.88
_cell_angle_alpha   104.2
_cell_angle_beta   104.2
_cell_angle_gamma   120.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdPb4Au
_chemical_formula_sum   'Pd1 Pb4 Au1'
_cell_volume   152.15
_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
  Pd  Pd0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.76  0.15  0.46  1.0
  Pb  Pb2  1  0.46  0.85  0.46  1.0
  Pb  Pb3  1  0.15  0.46  0.46  1.0
  Pb  Pb4  1  0.85  0.76  0.46  1.0
  Au  Au5  1  0.0  0.0  0.91  1.0

data_PdPb4Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.83
_cell_length_b   5.88
_cell_length_c   5.88
_cell_angle_alpha   75.8
_cell_angle_beta   60.31
_cell_angle_gamma   60.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdPb4Au
_chemical_formula_sum   'Pd1 Pb4 Au1'
_cell_volume   152.15
_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
  Pd  Pd0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.15  0.61  0.54  1.0
  Pb  Pb2  1  0.46  0.69  0.54  1.0
  Pb  Pb3  1  0.76  0.09  0.54  1.0
  Pb  Pb4  1  0.85  0.61  0.54  1.0
  Au  Au5  1  0.0  0.0  0.09  1.0

Pd Pb Pb Pb Pb Au