data_CaGa2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   3.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaGa2B
_chemical_formula_sum   'Ca1 Ga2 B1'
_cell_volume   73.49
_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
  Ca  Ca1  1  0.71  0.0  0.0  1.0
  Ga  Ga2  1  0.35  0.87  0.6  1.0
  Ga  Ga3  1  0.35  0.13  0.6  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_CaGa2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   115.08
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaGa2B
_chemical_formula_sum   'Ca1 Ga2 B1'
_cell_volume   73.49
_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
  Ca  Ca0  1  0.0  0.71  0.0  1.0
  Ga  Ga1  1  0.6  0.35  0.13  1.0
  Ga  Ga2  1  0.6  0.35  0.87  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Ca Ga Ga B