data_GaBSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.9
_cell_length_b   5.9
_cell_length_c   5.9
_cell_angle_alpha   149.15
_cell_angle_beta   149.15
_cell_angle_gamma   44.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaBSb
_chemical_formula_sum   'Ga1 B1 Sb1'
_cell_volume   53.94
_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  0.0  0.0  0.06  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.0  0.0  0.88  1.0

data_GaBSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   5.9
_cell_angle_alpha   90.0
_cell_angle_beta   112.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaBSb
_chemical_formula_sum   'Ga2 B2 Sb2'
_cell_volume   107.88
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.06  0.0  0.06  1.0
  B  B1  2  0.0  0.0  0.0  1.0
  Sb  Sb2  2  0.38  0.5  0.88  1.0

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