data_CdGa2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.81
_cell_length_b   3.81
_cell_length_c   6.29
_cell_angle_alpha   104.95
_cell_angle_beta   104.95
_cell_angle_gamma   52.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdGa2B
_chemical_formula_sum   'Cd1 Ga2 B1'
_cell_volume   69.74
_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  Cd1  1  0.04  0.0  0.65  1.0
  Ga  Ga2  1  0.34  0.0  0.68  1.0
  Ga  Ga3  1  0.12  0.0  0.74  1.0
  B  B0  1  0.21  0.0  0.98  1.0

data_CdGa2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   3.81
_cell_length_c   6.29
_cell_angle_alpha   104.95
_cell_angle_beta   90.0
_cell_angle_gamma   116.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdGa2B
_chemical_formula_sum   'Cd1 Ga2 B1'
_cell_volume   69.74
_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  0.96  0.35  1.0
  Ga  Ga1  1  0.0  0.66  0.32  1.0
  Ga  Ga2  1  0.0  0.88  0.26  1.0
  B  B3  1  0.0  0.79  0.02  1.0

Cd Ga Ga B
Cd Ga Ga B 0 2 o o o 0 1 o o o 1 2 o o o 2 3 o o o 