data_Cd2NiPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01
_cell_length_b   4.65
_cell_length_c   4.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2NiPd
_chemical_formula_sum   'Cd2 Ni1 Pd1'
_cell_volume   66.63
_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  0.5  0.0  0.37  1.0
  Cd  Cd1  1  0.5  0.32  0.19  1.0
  Ni  Ni2  1  0.0  0.0  0.71  1.0
  Pd  Pd3  1  0.0  0.32  0.87  1.0

data_Cd2NiPd
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.65
_cell_length_b   3.01
_cell_length_c   4.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Cd2NiPd
_chemical_formula_sum   'Cd2 Ni1 Pd1'
_cell_volume   66.63
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.5  0.37  1.0
  Cd  Cd1  1  0.32  0.5  0.19  1.0
  Ni  Ni2  1  0.0  0.0  0.71  1.0
  Pd  Pd3  1  0.32  0.0  0.87  1.0

Cd Cd Ni Pd
Cd Cd Ni Pd 0 1 o o o 2 3 o o o 