data_CdTePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   4.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdTePd
_chemical_formula_sum   'Cd1 Te1 Pd1'
_cell_volume   69.27
_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  1.0  0.58  0.24  1.0
  Te  Te2  1  0.23  0.29  0.29  1.0
  Pd  Pd1  1  0.0  0.0  0.49  1.0

data_CdTePd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.02
_cell_length_b   4.46
_cell_length_c   4.46
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdTePd
_chemical_formula_sum   'Cd1 Te1 Pd1'
_cell_volume   69.27
_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  0.24  1.0  0.58  1.0
  Te  Te1  1  0.29  0.23  0.29  1.0
  Pd  Pd2  1  0.49  0.0  0.0  1.0

Cd Te Pd
Cd Te Pd 0 2 + + o 0 1 + o o 1 2 o o o 