data_CdTePd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34
_cell_length_b   3.34
_cell_length_c   7.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdTePd2
_chemical_formula_sum   'Cd1 Te1 Pd2'
_cell_volume   81.72
_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  0.37  1.0
  Te  Te3  1  0.3  0.0  0.18  1.0
  Pd  Pd1  1  0.3  0.0  0.21  1.0
  Pd  Pd2  1  0.0  0.0  0.56  1.0

data_CdTePd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   3.34
_cell_length_c   7.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdTePd2
_chemical_formula_sum   'Cd1 Te1 Pd2'
_cell_volume   81.72
_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  0.37  1.0
  Te  Te1  1  0.3  0.0  0.18  1.0
  Pd  Pd2  1  0.0  0.0  0.56  1.0
  Pd  Pd3  1  0.3  0.0  0.21  1.0

Cd Te Pd Pd
Cd Te Pd Pd 0 2 o o o 0 1 o o o 0 3 o o o 1 2 o o o 