data_Cd2GaSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   5.22
_cell_length_c   5.93
_cell_angle_alpha   90.0
_cell_angle_beta   92.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2GaSb
_chemical_formula_sum   'Cd2 Ga1 Sb1'
_cell_volume   97.91
_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  0.83  0.61  0.38  1.0
  Cd  Cd1  1  0.06  0.61  0.55  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.45  0.0  0.96  1.0

data_Cd2GaSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   5.22
_cell_length_c   5.93
_cell_angle_alpha   90.0
_cell_angle_beta   92.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2GaSb
_chemical_formula_sum   'Cd2 Ga1 Sb1'
_cell_volume   97.91
_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  0.06  0.61  0.55  1.0
  Cd  Cd1  1  0.83  0.61  0.38  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.45  0.0  0.96  1.0

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