data_Cd2GaSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   5.4
_cell_angle_alpha   97.95
_cell_angle_beta   97.95
_cell_angle_gamma   33.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2GaSb
_chemical_formula_sum   'Cd2 Ga1 Sb1'
_cell_volume   95.74
_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  0.17  0.0  0.06  1.0
  Cd  Cd1  1  0.93  0.0  0.28  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.05  0.0  0.67  1.0

data_Cd2GaSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   5.4
_cell_length_c   5.69
_cell_angle_alpha   97.95
_cell_angle_beta   106.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2GaSb
_chemical_formula_sum   'Cd2 Ga1 Sb1'
_cell_volume   95.74
_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  0.06  0.17  1.0
  Cd  Cd1  1  0.0  0.28  0.93  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.0  0.67  0.05  1.0

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