data_NbCdTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   3.96
_cell_length_c   5.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCdTc2
_chemical_formula_sum   'Nb1 Cd1 Tc2'
_cell_volume   67.59
_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
  Nb  Nb1  1  0.43  0.0  0.56  1.0
  Cd  Cd0  1  0.98  0.98  0.88  1.0
  Tc  Tc2  1  0.88  0.98  0.07  1.0
  Tc  Tc3  1  0.45  0.0  0.23  1.0

data_NbCdTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   3.96
_cell_length_c   5.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCdTc2
_chemical_formula_sum   'Nb1 Cd1 Tc2'
_cell_volume   67.59
_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
  Nb  Nb0  1  0.43  0.0  0.56  1.0
  Cd  Cd1  1  0.98  0.98  0.88  1.0
  Tc  Tc2  1  0.45  0.0  0.23  1.0
  Tc  Tc3  1  0.88  0.98  0.07  1.0

Nb Cd Tc Tc
Nb Cd Tc Tc 0 1 - - o 0 1 o - o 0 3 o o o 1 2 o o + 2 3 + + o 2 3 o + o 