data_CdNiPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78
_cell_length_b   4.47
_cell_length_c   5.1
_cell_angle_alpha   90.0
_cell_angle_beta   98.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdNiPt2
_chemical_formula_sum   'Cd1 Ni1 Pt2'
_cell_volume   62.47
_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
  Cd  Cd0  1  0.87  0.23  0.54  1.0
  Ni  Ni1  1  0.02  0.0  0.88  1.0
  Pt  Pt2  1  0.35  0.23  0.95  1.0
  Pt  Pt3  1  0.95  0.0  0.23  1.0

data_CdNiPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   4.47
_cell_length_c   5.1
_cell_angle_alpha   90.0
_cell_angle_beta   98.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdNiPt2
_chemical_formula_sum   'Cd1 Ni1 Pt2'
_cell_volume   62.47
_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
  Cd  Cd0  1  0.87  0.23  0.54  1.0
  Ni  Ni1  1  0.02  0.0  0.88  1.0
  Pt  Pt2  1  0.35  0.23  0.95  1.0
  Pt  Pt3  1  0.95  0.0  0.23  1.0

Cd Ni Pt Pt
Cd Ni Pt Pt 0 3 o o o 0 1 + o o 0 2 + o o 1 2 o o o 1 3 - o + 2 3 - o + 