data_CdAsPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   135.12
_cell_angle_beta   135.12
_cell_angle_gamma   65.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdAsPd2
_chemical_formula_sum   'Cd1 As1 Pd2'
_cell_volume   68.38
_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  0.98  0.0  0.18  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.0  0.0  0.36  1.0
  Pd  Pd3  1  0.0  0.98  0.18  1.0

data_CdAsPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.96
_cell_length_b   3.96
_cell_length_c   5.18
_cell_angle_alpha   112.44
_cell_angle_beta   112.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdAsPd2
_chemical_formula_sum   'Cd1 As1 Pd2'
_cell_volume   68.38
_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  0.82  0.0  0.8  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.64  0.0  0.64  1.0
  Pd  Pd3  1  0.8  0.98  0.8  1.0

Cd As Pd Pd