data_CdGaSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   5.59
_cell_angle_alpha   146.43
_cell_angle_beta   131.75
_cell_angle_gamma   60.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdGaSn
_chemical_formula_sum   'Cd1 Ga1 Sn1'
_cell_volume   71.41
_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  0.01  1.0
  Ga  Ga1  1  0.0  0.0  0.45  1.0
  Sn  Sn2  1  0.0  0.0  0.22  1.0

data_CdGaSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.57
_cell_length_c   5.59
_cell_angle_alpha   114.12
_cell_angle_beta   106.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdGaSn
_chemical_formula_sum   'Cd1 Ga1 Sn1'
_cell_volume   71.41
_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  0.01  0.01  1.0
  Ga  Ga1  1  0.0  0.45  0.45  1.0
  Sn  Sn2  1  0.0  0.22  0.22  1.0

Cd Ga Sn