data_InGa2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   137.66
_cell_angle_beta   113.74
_cell_angle_gamma   81.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGa2B
_chemical_formula_sum   'In1 Ga2 B1'
_cell_volume   74.17
_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  0.8  0.0  0.43  1.0
  Ga  Ga1  1  0.8  0.0  0.48  1.0
  Ga  Ga2  1  0.0  0.0  0.8  1.0
  B  B0  1  0.0  0.0  0.61  1.0

data_InGa2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   66.26
_cell_angle_beta   68.83
_cell_angle_gamma   68.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGa2B
_chemical_formula_sum   'In1 Ga2 B1'
_cell_volume   74.17
_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  0.2  0.43  1.0
  Ga  Ga1  1  0.0  -0.0  0.8  1.0
  Ga  Ga2  1  0.0  0.2  0.48  1.0
  B  B3  1  0.0  -0.0  0.61  1.0

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