data_Li2CdTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   5.08
_cell_angle_alpha   98.21
_cell_angle_beta   98.21
_cell_angle_gamma   30.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CdTc
_chemical_formula_sum   'Li2 Cd1 Tc1'
_cell_volume   64.56
_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
  Li  Li1  1  0.28  0.0  1.0  1.0
  Li  Li2  1  0.88  0.0  0.75  1.0
  Cd  Cd0  1  0.08  0.0  0.34  1.0
  Tc  Tc3  1  0.48  0.0  0.49  1.0

data_Li2CdTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.64
_cell_length_b   5.04
_cell_length_c   5.08
_cell_angle_alpha   98.21
_cell_angle_beta   90.0
_cell_angle_gamma   105.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CdTc
_chemical_formula_sum   'Li2 Cd1 Tc1'
_cell_volume   64.56
_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
  Li  Li0  1  0.0  0.12  0.25  1.0
  Li  Li1  1  0.0  0.72  0.0  1.0
  Cd  Cd2  1  0.0  0.92  0.66  1.0
  Tc  Tc3  1  0.0  0.52  0.51  1.0

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