data_CdBPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   2.91
_cell_length_c   7.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdBPd2
_chemical_formula_sum   'Cd1 B1 Pd2'
_cell_volume   59.01
_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  0.0  0.0  0.77  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.62  0.0  0.17  1.0
  Pd  Pd3  1  0.62  0.0  0.38  1.0

data_CdBPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   2.91
_cell_length_c   7.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdBPd2
_chemical_formula_sum   'Cd1 B1 Pd2'
_cell_volume   59.01
_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  0.0  0.0  0.77  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.62  0.0  0.17  1.0
  Pd  Pd3  1  0.62  0.0  0.38  1.0

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