data_InSi2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   3.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSi2Sb
_chemical_formula_sum   'In1 Si2 Sb1'
_cell_volume   85.08
_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  0.0  0.0  1.0
  Si  Si2  1  0.76  0.2  0.67  1.0
  Si  Si3  1  0.76  0.8  0.67  1.0
  Sb  Sb1  1  0.53  0.0  0.0  1.0

data_InSi2Sb
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.35
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   InSi2Sb
_chemical_formula_sum   'In1 Si2 Sb1'
_cell_volume   85.1
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.0  1.0
  Si  Si1  2  0.67  0.2  0.76  1.0
  Sb  Sb2  1  0.0  0.0  0.53  1.0

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