data_TaNbCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.45
_cell_angle_alpha   99.44
_cell_angle_beta   99.44
_cell_angle_gamma   32.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNbCd2
_chemical_formula_sum   'Ta1 Nb1 Cd2'
_cell_volume   78.31
_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  0.32  0.0  0.53  1.0
  Nb  Nb2  1  0.48  0.0  0.5  1.0
  Cd  Cd0  1  0.12  0.0  0.29  1.0
  Cd  Cd1  1  0.76  0.0  0.11  1.0

data_TaNbCd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   5.21
_cell_length_c   5.45
_cell_angle_alpha   99.44
_cell_angle_beta   90.0
_cell_angle_gamma   106.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNbCd2
_chemical_formula_sum   'Ta1 Nb1 Cd2'
_cell_volume   78.31
_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  0.68  0.47  1.0
  Nb  Nb1  1  0.0  0.52  0.5  1.0
  Cd  Cd2  1  0.0  0.24  0.89  1.0
  Cd  Cd3  1  0.0  0.88  0.71  1.0

Ta Nb Cd Cd