data_CdGaTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   2.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdGaTc2
_chemical_formula_sum   'Cd1 Ga1 Tc2'
_cell_volume   64.53
_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  0.78  0.0  0.0  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.39  0.1  0.38  1.0
  Tc  Tc3  1  0.39  0.9  0.38  1.0

data_CdGaTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   113.12
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdGaTc2
_chemical_formula_sum   'Cd1 Ga1 Tc2'
_cell_volume   64.53
_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  0.78  0.0  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.38  0.39  0.1  1.0
  Tc  Tc3  1  0.38  0.39  0.9  1.0

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