data_CdGaSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   5.57
_cell_angle_alpha   104.31
_cell_angle_beta   104.31
_cell_angle_gamma   35.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdGaSb2
_chemical_formula_sum   'Cd1 Ga1 Sb2'
_cell_volume   100.8
_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  0.73  0.0  0.69  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.69  0.0  0.05  1.0
  Sb  Sb3  1  0.77  0.0  0.32  1.0

data_CdGaSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   5.57
_cell_length_c   5.71
_cell_angle_alpha   104.31
_cell_angle_beta   107.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdGaSb2
_chemical_formula_sum   'Cd1 Ga1 Sb2'
_cell_volume   100.8
_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  0.69  0.73  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.0  0.05  0.69  1.0
  Sb  Sb3  1  0.0  0.32  0.77  1.0

Cd Ga Sb Sb