data_InGaB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22
_cell_length_b   6.22
_cell_length_c   6.22
_cell_angle_alpha   152.43
_cell_angle_beta   149.77
_cell_angle_gamma   41.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGaB
_chemical_formula_sum   'In1 Ga1 B1'
_cell_volume   55.91
_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  In2  1  0.0  0.0  0.92  1.0
  Ga  Ga1  1  0.0  0.0  0.07  1.0
  B  B0  1  0.0  0.0  0.28  1.0

data_InGaB
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   3.24
_cell_length_c   6.22
_cell_angle_alpha   105.11
_cell_angle_beta   103.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGaB
_chemical_formula_sum   'In1 Ga1 B1'
_cell_volume   55.91
_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  0.0  0.92  0.92  1.0
  Ga  Ga1  1  0.0  0.07  0.07  1.0
  B  B2  1  0.0  0.28  0.28  1.0

In Ga B
In Ga B 0 1 o o + 1 2 o o o 