data_CdTc2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88
_cell_length_b   2.88
_cell_length_c   7.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdTc2Cl
_chemical_formula_sum   'Cd1 Tc2 Cl1'
_cell_volume   66.13
_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  0.98  1.0
  Tc  Tc2  1  0.44  0.44  0.82  1.0
  Tc  Tc3  1  0.44  0.44  0.14  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_CdTc2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.08
_cell_length_b   4.08
_cell_length_c   7.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdTc2Cl
_chemical_formula_sum   'Cd2 Tc4 Cl2'
_cell_volume   132.25
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.98  1.0
  Tc  Tc1  2  0.44  0.0  0.14  1.0
  Tc  Tc2  2  0.44  0.0  0.82  1.0
  Cl  Cl3  2  0.0  0.0  0.0  1.0

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