data_InGaSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   3.25
_cell_length_c   9.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGaSb2
_chemical_formula_sum   'In1 Ga1 Sb2'
_cell_volume   102.9
_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  0.02  0.0  0.67  1.0
  Ga  Ga0  1  0.0  0.0  0.99  1.0
  Sb  Sb2  1  0.0  0.0  0.14  1.0
  Sb  Sb3  1  0.02  0.0  0.18  1.0

data_InGaSb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.09
_cell_length_b   4.04
_cell_length_c   9.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   InGaSb2
_chemical_formula_sum   'In2 Ga2 Sb4'
_cell_volume   205.79
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.02  0.0  0.67  1.0
  Ga  Ga1  2  0.01  0.0  0.99  1.0
  Sb  Sb2  2  0.01  0.0  0.14  1.0
  Sb  Sb3  2  0.02  0.0  0.18  1.0

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