data_CaPdAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.02
_cell_length_b   9.02
_cell_length_c   9.02
_cell_angle_alpha   21.1
_cell_angle_beta   21.1
_cell_angle_gamma   21.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPdAu2
_chemical_formula_sum   'Ca1 Pd1 Au2'
_cell_volume   83.34
_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
  Ca  Ca2  1  0.0  0.0  0.17  1.0
  Pd  Pd3  1  0.0  0.0  0.77  1.0
  Au  Au0  1  0.0  0.0  0.06  1.0
  Au  Au1  1  0.0  0.0  0.68  1.0

data_CaPdAu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.72
_cell_length_b   3.3
_cell_length_c   9.02
_cell_angle_alpha   90.0
_cell_angle_beta   102.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaPdAu2
_chemical_formula_sum   'Ca2 Pd2 Au4'
_cell_volume   166.69
_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
  Ca  Ca0  2  0.0  0.0  0.83  1.0
  Pd  Pd1  2  0.0  0.0  0.23  1.0
  Au  Au2  2  0.0  0.0  0.32  1.0
  Au  Au3  2  0.0  0.0  0.94  1.0

Ca Pd Au Au