data_Ga2BSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   3.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2BSb
_chemical_formula_sum   'Ga2 B1 Sb1'
_cell_volume   70.74
_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
  Ga  Ga1  1  0.56  0.47  0.76  1.0
  Ga  Ga2  1  0.56  0.53  0.76  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.56  0.0  0.0  1.0

data_Ga2BSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   4.69
_cell_length_c   4.69
_cell_angle_alpha   113.91
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2BSb
_chemical_formula_sum   'Ga2 B1 Sb1'
_cell_volume   70.74
_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
  Ga  Ga0  1  0.76  0.56  0.47  1.0
  Ga  Ga1  1  0.76  0.56  0.53  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.0  0.56  0.0  1.0

Ga Ga B Sb
Ga Ga B Sb 0 1 o o o 0 2 + + + 0 3 o o + 0 3 o + + 1 2 + + + 1 3 o o + 1 3 o + + 2 3 - o o 2 3 o o o 