data_InSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   5.06
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSi
_chemical_formula_sum   'In2 Si2'
_cell_volume   85.35
_cell_formula_units_Z   2
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  0.57  0.0  0.26  1.0
  In  In1  1  0.0  0.53  0.1  1.0
  Si  Si2  1  0.0  0.0  0.38  1.0
  Si  Si3  1  0.57  0.53  0.98  1.0

data_InSi
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.15
_cell_length_b   5.06
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   InSi
_chemical_formula_sum   'In2 Si2'
_cell_volume   85.35
_cell_formula_units_Z   2
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  2  0.29  0.73  0.08  1.0
  Si  Si1  2  0.29  0.27  0.8  1.0

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