data_In2GaSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   3.25
_cell_length_c   9.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2GaSb
_chemical_formula_sum   'In2 Ga1 Sb1'
_cell_volume   102.95
_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  In1  1  0.05  0.0  0.36  1.0
  In  In2  1  0.05  0.0  0.6  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.0  0.0  0.98  1.0

data_In2GaSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   3.25
_cell_length_c   9.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2GaSb
_chemical_formula_sum   'In2 Ga1 Sb1'
_cell_volume   102.95
_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  0.05  0.0  0.36  1.0
  In  In1  1  0.05  0.0  0.6  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.0  0.0  0.98  1.0

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