data_AlGa2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19
_cell_length_b   6.19
_cell_length_c   6.19
_cell_angle_alpha   152.38
_cell_angle_beta   146.52
_cell_angle_gamma   43.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlGa2B
_chemical_formula_sum   'Al1 Ga2 B1'
_cell_volume   60.39
_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
  Al  Al0  1  0.0  0.0  0.74  1.0
  Ga  Ga2  1  0.48  0.0  0.05  1.0
  Ga  Ga3  1  0.0  0.78  0.69  1.0
  B  B1  1  0.0  0.0  0.0  1.0

data_AlGa2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   3.56
_cell_length_c   6.19
_cell_angle_alpha   106.74
_cell_angle_beta   103.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlGa2B
_chemical_formula_sum   'Al1 Ga2 B1'
_cell_volume   60.39
_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
  Al  Al0  1  0.0  0.74  0.74  1.0
  Ga  Ga1  1  0.0  0.05  0.57  1.0
  Ga  Ga2  1  0.22  0.91  0.91  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Al Ga Ga B