data_Al2CdTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89
_cell_length_b   2.89
_cell_length_c   8.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CdTc
_chemical_formula_sum   'Al2 Cd1 Tc1'
_cell_volume   68.28
_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
  Al  Al0  1  0.6  0.0  0.92  1.0
  Al  Al1  1  0.6  0.0  0.95  1.0
  Cd  Cd2  1  0.0  0.0  0.43  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0

data_Al2CdTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   2.89
_cell_length_c   8.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CdTc
_chemical_formula_sum   'Al2 Cd1 Tc1'
_cell_volume   68.28
_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
  Al  Al0  1  0.6  0.0  0.92  1.0
  Al  Al1  1  0.6  0.0  0.95  1.0
  Cd  Cd2  1  0.0  0.0  0.43  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0

Al Al Cd Tc
Al Al Cd Tc 0 1 o o o 0 3 + o + 1 3 + o + 2 2 + + o 2 2 o + o 2 2 + o o 