data_TaNb2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   131.85
_cell_angle_beta   131.85
_cell_angle_gamma   70.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNb2Cd
_chemical_formula_sum   'Ta1 Nb2 Cd1'
_cell_volume   74.96
_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  Ta3  1  0.11  0.0  0.11  1.0
  Nb  Nb1  1  0.0  0.11  0.11  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.0  0.0  0.22  1.0

data_TaNb2Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.21
_cell_length_b   4.21
_cell_length_c   5.17
_cell_angle_alpha   114.07
_cell_angle_beta   114.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNb2Cd
_chemical_formula_sum   'Ta1 Nb2 Cd1'
_cell_volume   74.96
_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  0.89  0.0  1.0  1.0
  Nb  Nb1  1  0.0  0.0  0.0  1.0
  Nb  Nb2  1  1.0  0.11  1.0  1.0
  Cd  Cd3  1  0.78  0.0  0.78  1.0

Ta Nb Nb Cd