data_In2SiSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.69
_cell_length_b   3.69
_cell_length_c   7.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2SiSb
_chemical_formula_sum   'In2 Si1 Sb1'
_cell_volume   96.78
_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  0.84  0.84  0.6  1.0
  In  In1  1  0.84  0.84  0.52  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.0  0.0  0.56  1.0

data_In2SiSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   7.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   In2SiSb
_chemical_formula_sum   'In4 Si2 Sb2'
_cell_volume   193.56
_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  0.34  0.5  0.52  1.0
  In  In1  2  0.34  0.5  0.6  1.0
  Si  Si2  2  0.0  0.0  0.0  1.0
  Sb  Sb3  2  0.0  0.0  0.56  1.0

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