data_CdCuTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   2.97
_cell_length_c   7.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCuTc2
_chemical_formula_sum   'Cd1 Cu1 Tc2'
_cell_volume   62.76
_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  0.49  0.49  0.65  1.0
  Cu  Cu1  1  0.0  0.0  0.45  1.0
  Tc  Tc2  1  0.49  0.49  0.07  1.0
  Tc  Tc3  1  0.0  0.0  0.49  1.0

data_CdCuTc2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   7.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdCuTc2
_chemical_formula_sum   'Cd2 Cu2 Tc4'
_cell_volume   125.52
_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  0.49  0.0  0.65  1.0
  Cu  Cu1  2  0.0  0.0  0.45  1.0
  Tc  Tc2  2  0.0  0.0  0.49  1.0
  Tc  Tc3  2  0.49  0.0  0.07  1.0

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