data_CoPdPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97
_cell_length_b   5.97
_cell_length_c   5.97
_cell_angle_alpha   153.4
_cell_angle_beta   153.4
_cell_angle_gamma   37.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoPdPt
_chemical_formula_sum   'Co1 Pd1 Pt1'
_cell_volume   42.66
_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
  Co  Co0  1  0.0  0.0  0.02  1.0
  Pd  Pd1  1  0.0  0.0  0.87  1.0
  Pt  Pt2  1  0.0  0.0  0.41  1.0

data_CoPdPt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.89
_cell_length_b   3.89
_cell_length_c   5.97
_cell_angle_alpha   90.0
_cell_angle_beta   108.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CoPdPt
_chemical_formula_sum   'Co2 Pd2 Pt2'
_cell_volume   85.33
_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
  Co  Co0  2  0.0  0.0  0.98  1.0
  Pd  Pd1  2  0.0  0.0  0.13  1.0
  Pt  Pt2  2  0.0  0.0  0.59  1.0

Co Pd Pt
Co Pd Pt 0 1 o o - 0 2 o o o 1 2 o o o 2 2 + o + 2 2 o + + 