data_Li2GaB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.71
_cell_length_b   3.35
_cell_length_c   5.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2GaB
_chemical_formula_sum   'Li2 Ga1 B1'
_cell_volume   49.36
_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
  Li  Li2  1  0.0  0.0  0.43  1.0
  Li  Li3  1  0.35  0.67  0.5  1.0
  Ga  Ga1  1  0.35  0.67  0.9  1.0
  B  B0  1  0.0  0.0  0.77  1.0

data_Li2GaB
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   3.35
_cell_length_c   5.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2GaB
_chemical_formula_sum   'Li2 Ga1 B1'
_cell_volume   49.36
_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
  Li  Li0  1  0.0  0.0  0.43  1.0
  Li  Li1  1  0.35  0.67  0.5  1.0
  Ga  Ga2  1  0.35  0.67  0.9  1.0
  B  B3  1  0.0  0.0  0.77  1.0

Li Li Ga B