data_TaCdPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   2.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCdPd
_chemical_formula_sum   'Ta1 Cd1 Pd1'
_cell_volume   52.88
_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
  Ta  Ta2  1  0.34  0.35  0.68  1.0
  Cd  Cd0  1  1.0  0.7  0.21  1.0
  Pd  Pd1  1  0.0  0.0  0.91  1.0

data_TaCdPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.67
_cell_length_c   4.67
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCdPd
_chemical_formula_sum   'Ta1 Cd1 Pd1'
_cell_volume   52.88
_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
  Ta  Ta0  1  0.68  0.34  0.35  1.0
  Cd  Cd1  1  0.21  1.0  0.7  1.0
  Pd  Pd2  1  0.91  0.0  0.0  1.0

Ta Cd Pd
Ta Cd Pd 0 2 o o o 1 2 + + - 