data_CdGaB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33
_cell_length_b   3.18
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdGaB2
_chemical_formula_sum   'Cd1 Ga1 B2'
_cell_volume   56.13
_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  Cd2  1  0.62  0.0  0.65  1.0
  Ga  Ga3  1  0.0  0.0  0.0  1.0
  B  B0  1  0.66  0.59  0.8  1.0
  B  B1  1  0.58  0.59  0.51  1.0

data_CdGaB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   3.33
_cell_length_c   5.31
_cell_angle_alpha   90.87
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdGaB2
_chemical_formula_sum   'Cd1 Ga1 B2'
_cell_volume   56.13
_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  0.38  0.35  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  B  B2  1  0.41  0.34  0.2  1.0
  B  B3  1  0.41  0.42  0.49  1.0

Cd Ga B B