data_CdTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72
_cell_length_b   6.72
_cell_length_c   5.67
_cell_angle_alpha   103.94
_cell_angle_beta   103.94
_cell_angle_gamma   25.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdTc
_chemical_formula_sum   'Cd3 Tc3'
_cell_volume   106.14
_cell_formula_units_Z   3
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
  Cd  Cd0  1  0.21  0.0  0.19  1.0
  Cd  Cd1  1  0.45  0.0  0.36  1.0
  Cd  Cd2  1  0.48  0.0  0.95  1.0
  Tc  Tc3  1  0.45  0.0  0.97  1.0
  Tc  Tc4  1  0.12  0.0  0.11  1.0
  Tc  Tc5  1  0.71  0.0  0.99  1.0

data_CdTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   5.67
_cell_length_c   6.72
_cell_angle_alpha   103.94
_cell_angle_beta   102.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdTc
_chemical_formula_sum   'Cd3 Tc3'
_cell_volume   106.14
_cell_formula_units_Z   3
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
  Cd  Cd0  1  0.0  0.19  0.21  1.0
  Cd  Cd1  1  0.0  0.36  0.45  1.0
  Cd  Cd2  1  0.0  0.95  0.48  1.0
  Tc  Tc3  1  0.0  0.11  0.12  1.0
  Tc  Tc4  1  0.0  0.97  0.45  1.0
  Tc  Tc5  1  0.0  0.99  0.71  1.0

Cd Cd Cd Tc Tc Tc