data_Ta2NbCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   139.93
_cell_angle_beta   129.47
_cell_angle_gamma   66.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2NbCd
_chemical_formula_sum   'Ta2 Nb1 Cd1'
_cell_volume   75.02
_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  0.0  0.28  0.47  1.0
  Ta  Ta3  1  0.0  0.0  0.17  1.0
  Nb  Nb1  1  0.0  0.0  0.8  1.0
  Cd  Cd0  1  0.0  0.28  0.0  1.0

data_Ta2NbCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   4.57
_cell_length_c   5.35
_cell_angle_alpha   115.27
_cell_angle_beta   110.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2NbCd
_chemical_formula_sum   'Ta2 Nb1 Cd1'
_cell_volume   75.02
_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  0.0  0.17  0.17  1.0
  Ta  Ta1  1  0.72  0.19  0.19  1.0
  Nb  Nb2  1  0.0  0.8  0.8  1.0
  Cd  Cd3  1  0.72  0.72  0.72  1.0

Ta Ta Nb Cd
Ta Ta Nb Cd 0 1 o o o 2 3 o o + 