data_In2SiSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.89
_cell_length_b   6.89
_cell_length_c   6.89
_cell_angle_alpha   148.36
_cell_angle_beta   142.48
_cell_angle_gamma   49.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2SiSb
_chemical_formula_sum   'In2 Si1 Sb1'
_cell_volume   103.9
_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  In0  1  0.88  0.0  0.38  1.0
  In  In1  1  0.0  0.21  0.86  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.0  0.0  0.24  1.0

data_In2SiSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   4.43
_cell_length_c   6.89
_cell_angle_alpha   108.76
_cell_angle_beta   105.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2SiSb
_chemical_formula_sum   'In2 Si1 Sb1'
_cell_volume   103.9
_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  In0  1  0.14  0.35  0.35  1.0
  In  In1  1  0.49  0.62  0.49  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.76  0.76  0.76  1.0

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