data_CdSiTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   2.78
_cell_angle_alpha   102.53
_cell_angle_beta   102.53
_cell_angle_gamma   114.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSiTc2
_chemical_formula_sum   'Cd1 Si1 Tc2'
_cell_volume   62.53
_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  0.81  0.0  0.0  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.85  0.18  0.27  1.0
  Tc  Tc3  1  0.85  0.82  0.27  1.0

data_CdSiTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   5.18
_cell_length_c   5.19
_cell_angle_alpha   118.1
_cell_angle_beta   102.53
_cell_angle_gamma   95.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSiTc2
_chemical_formula_sum   'Cd1 Si1 Tc2'
_cell_volume   62.53
_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  0.81  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.09  0.82  0.66  1.0
  Tc  Tc3  1  0.46  0.18  0.03  1.0

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