data_CdTc2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01
_cell_length_b   3.01
_cell_length_c   8.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdTc2Sb
_chemical_formula_sum   'Cd1 Tc2 Sb1'
_cell_volume   72.76
_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
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.62  0.0  0.49  1.0
  Tc  Tc3  1  0.62  0.0  0.36  1.0
  Sb  Sb1  1  0.0  0.0  0.42  1.0

data_CdTc2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   3.01
_cell_length_c   8.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdTc2Sb
_chemical_formula_sum   'Cd1 Tc2 Sb1'
_cell_volume   72.76
_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
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.62  0.0  0.36  1.0
  Tc  Tc2  1  0.62  0.0  0.49  1.0
  Sb  Sb3  1  0.0  0.0  0.42  1.0

Cd Tc Tc Sb
Cd Tc Tc Sb 0 0 + + o 0 0 o + o 0 0 + o o 0 2 - o o 1 3 + o o 1 2 o o o 2 3 + o o 