data_SrPb2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96
_cell_length_b   3.96
_cell_length_c   7.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrPb2Au
_chemical_formula_sum   'Sr1 Pb2 Au1'
_cell_volume   119.32
_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
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.51  0.0  0.46  1.0
  Pb  Pb2  1  0.51  0.0  0.31  1.0
  Au  Au0  1  0.0  0.0  0.89  1.0

data_SrPb2Au
_symmetry_space_group_name_H-M   P2
_cell_length_a   3.96
_cell_length_b   7.77
_cell_length_c   3.96
_cell_angle_alpha   90.0
_cell_angle_beta   101.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   SrPb2Au
_chemical_formula_sum   'Sr1 Pb2 Au1'
_cell_volume   119.32
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Sr  Sr0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.5  0.54  0.0  1.0
  Pb  Pb2  1  0.5  0.69  0.0  1.0
  Au  Au3  1  0.0  0.11  0.0  1.0

Sr Pb Pb Au