data_CdGa2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56
_cell_length_b   3.56
_cell_length_c   7.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdGa2Sn
_chemical_formula_sum   'Cd1 Ga2 Sn1'
_cell_volume   90.35
_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  0.0  0.54  1.0
  Ga  Ga1  1  0.78  0.78  0.11  1.0
  Ga  Ga2  1  0.0  0.0  0.61  1.0
  Sn  Sn3  1  0.78  0.78  0.43  1.0

data_CdGa2Sn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   7.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdGa2Sn
_chemical_formula_sum   'Cd2 Ga4 Sn2'
_cell_volume   180.7
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.54  1.0
  Ga  Ga1  2  0.0  0.0  0.61  1.0
  Ga  Ga2  2  0.28  0.5  0.11  1.0
  Sn  Sn3  2  0.28  0.5  0.43  1.0

Cd Ga Ga Sn
Cd Ga Ga Sn 0 2 o o o 0 3 - - o 1 3 o o o 