data_Sr2AlB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87
_cell_length_b   5.87
_cell_length_c   5.44
_cell_angle_alpha   117.55
_cell_angle_beta   117.55
_cell_angle_gamma   37.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2AlB
_chemical_formula_sum   'Sr2 Al1 B1'
_cell_volume   99.86
_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
  Sr  Sr2  1  0.42  0.0  0.28  1.0
  Sr  Sr3  1  0.54  0.0  0.52  1.0
  Al  Al0  1  0.49  0.0  1.0  1.0
  B  B1  1  0.25  0.0  0.32  1.0

data_Sr2AlB
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.79
_cell_length_b   5.44
_cell_length_c   5.87
_cell_angle_alpha   117.55
_cell_angle_beta   108.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2AlB
_chemical_formula_sum   'Sr2 Al1 B1'
_cell_volume   99.86
_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
  Sr  Sr0  1  0.0  0.28  0.42  1.0
  Sr  Sr1  1  0.0  0.52  0.54  1.0
  Al  Al2  1  0.0  1.0  0.49  1.0
  B  B3  1  0.0  0.32  0.25  1.0

Sr Sr Al B