data_CdBPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   3.4
_cell_length_c   6.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdBPt2
_chemical_formula_sum   'Cd1 B1 Pt2'
_cell_volume   64.71
_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  Cd1  1  0.41  0.7  0.16  1.0
  B  B0  1  0.0  0.0  0.31  1.0
  Pt  Pt2  1  0.0  0.0  0.24  1.0
  Pt  Pt3  1  0.41  0.7  0.37  1.0

data_CdBPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   3.4
_cell_length_c   6.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdBPt2
_chemical_formula_sum   'Cd1 B1 Pt2'
_cell_volume   64.71
_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  0.41  0.7  0.16  1.0
  B  B1  1  0.0  0.0  0.31  1.0
  Pt  Pt2  1  0.0  0.0  0.24  1.0
  Pt  Pt3  1  0.41  0.7  0.37  1.0

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