data_TaCdTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   2.75
_cell_angle_alpha   102.03
_cell_angle_beta   102.03
_cell_angle_gamma   115.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCdTc2
_chemical_formula_sum   'Ta1 Cd1 Tc2'
_cell_volume   66.61
_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  Ta1  1  0.88  0.0  0.0  1.0
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.91  0.72  0.27  1.0
  Tc  Tc3  1  0.91  0.28  0.27  1.0

data_TaCdTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   5.34
_cell_length_c   5.39
_cell_angle_alpha   118.09
_cell_angle_beta   102.03
_cell_angle_gamma   95.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCdTc2
_chemical_formula_sum   'Ta1 Cd1 Tc2'
_cell_volume   66.61
_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  0.0  0.88  1.0
  Cd  Cd1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.54  0.28  0.18  1.0
  Tc  Tc3  1  0.99  0.72  0.63  1.0

Ta Cd Tc Tc