data_InGa2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19
_cell_length_b   6.19
_cell_length_c   6.19
_cell_angle_alpha   148.05
_cell_angle_beta   130.69
_cell_angle_gamma   59.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGa2Sb
_chemical_formula_sum   'In1 Ga2 Sb1'
_cell_volume   94.45
_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  0.28  1.0
  Ga  Ga0  1  0.0  0.0  0.08  1.0
  Ga  Ga1  1  0.7  0.0  0.45  1.0
  Sb  Sb3  1  0.0  0.58  0.92  1.0

data_InGa2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   5.17
_cell_length_c   6.19
_cell_angle_alpha   114.66
_cell_angle_beta   105.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGa2Sb
_chemical_formula_sum   'In1 Ga2 Sb1'
_cell_volume   94.45
_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  0.28  0.28  1.0
  Ga  Ga1  1  0.0  0.08  0.08  1.0
  Ga  Ga2  1  0.0  0.45  0.74  1.0
  Sb  Sb3  1  0.42  0.34  0.34  1.0

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