data_Sr2GaB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.14
_cell_length_b   6.14
_cell_length_c   5.09
_cell_angle_alpha   112.19
_cell_angle_beta   112.19
_cell_angle_gamma   34.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2GaB
_chemical_formula_sum   'Sr2 Ga1 B1'
_cell_volume   100.32
_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  0.11  0.0  0.62  1.0
  Sr  Sr3  1  0.02  0.0  0.25  1.0
  Ga  Ga1  1  0.22  0.0  0.49  1.0
  B  B0  1  0.18  0.0  0.31  1.0

data_Sr2GaB
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   5.09
_cell_length_c   6.14
_cell_angle_alpha   112.19
_cell_angle_beta   107.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2GaB
_chemical_formula_sum   'Sr2 Ga1 B1'
_cell_volume   100.32
_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  0.25  0.02  1.0
  Sr  Sr1  1  0.0  0.62  0.11  1.0
  Ga  Ga2  1  0.0  0.49  0.22  1.0
  B  B3  1  0.0  0.31  0.18  1.0

Sr Sr Ga B