data_InGa2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28
_cell_length_b   3.63
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   112.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGa2B
_chemical_formula_sum   'In1 Ga2 B1'
_cell_volume   75.94
_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
  In  In3  1  0.14  0.82  0.8  1.0
  Ga  Ga1  1  0.29  0.82  0.86  1.0
  Ga  Ga2  1  0.09  0.0  0.5  1.0
  B  B0  1  0.23  0.0  0.6  1.0

data_InGa2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   4.28
_cell_length_c   5.27
_cell_angle_alpha   112.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGa2B
_chemical_formula_sum   'In1 Ga2 B1'
_cell_volume   75.94
_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
  In  In0  1  0.18  0.86  0.2  1.0
  Ga  Ga1  1  0.0  0.91  0.5  1.0
  Ga  Ga2  1  0.18  0.71  0.14  1.0
  B  B3  1  0.0  0.77  0.4  1.0

In Ga Ga B
In Ga Ga B 0 1 o o o 2 3 o o o 