data_In3Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.5
_cell_length_b   6.5
_cell_length_c   15.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In3Si
_chemical_formula_sum   'In18 Si6'
_cell_volume   580.67
_cell_formula_units_Z   6
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  0.57  0.97  1.0
  In  In1  1  0.42  0.84  0.97  1.0
  In  In2  1  0.58  0.84  0.97  1.0
  In  In3  1  0.25  0.05  0.91  1.0
  In  In4  1  0.83  0.79  0.91  1.0
  In  In5  1  0.67  0.79  0.91  1.0
  In  In6  1  0.25  0.75  0.62  1.0
  In  In7  1  0.63  0.94  0.62  1.0
  In  In8  1  0.87  0.94  0.62  1.0
  In  In9  1  0.25  0.75  0.32  1.0
  In  In10  1  0.63  0.94  0.32  1.0
  In  In11  1  0.87  0.94  0.32  1.0
  In  In12  1  0.0  0.88  0.26  1.0
  In  In13  1  0.62  0.69  0.26  1.0
  In  In14  1  0.38  0.69  0.26  1.0
  In  In15  1  0.0  0.88  0.56  1.0
  In  In16  1  0.62  0.69  0.56  1.0
  In  In17  1  0.38  0.69  0.56  1.0
  Si  Si18  1  0.0  0.0  0.97  1.0
  Si  Si19  1  0.0  0.0  0.91  1.0
  Si  Si20  1  0.25  0.88  0.57  1.0
  Si  Si21  1  0.25  0.88  0.26  1.0
  Si  Si22  1  0.0  0.75  0.63  1.0
  Si  Si23  1  0.0  0.75  0.32  1.0

data_In3Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.5
_cell_length_b   6.5
_cell_length_c   15.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In3Si
_chemical_formula_sum   'In18 Si6'
_cell_volume   580.67
_cell_formula_units_Z   6
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  0.88  0.26  1.0
  In  In1  1  -0.0  0.88  0.56  1.0
  In  In2  1  -0.0  0.57  0.97  1.0
  In  In3  1  0.25  0.05  0.91  1.0
  In  In4  1  0.25  0.75  0.32  1.0
  In  In5  1  0.25  0.75  0.62  1.0
  In  In6  1  0.38  0.69  0.26  1.0
  In  In7  1  0.38  0.69  0.56  1.0
  In  In8  1  0.42  0.84  0.97  1.0
  In  In9  1  0.58  0.84  0.97  1.0
  In  In10  1  0.62  0.69  0.26  1.0
  In  In11  1  0.62  0.69  0.56  1.0
  In  In12  1  0.63  0.94  0.32  1.0
  In  In13  1  0.63  0.94  0.62  1.0
  In  In14  1  0.67  0.79  0.91  1.0
  In  In15  1  0.83  0.79  0.91  1.0
  In  In16  1  0.87  0.94  0.32  1.0
  In  In17  1  0.87  0.94  0.62  1.0
  Si  Si18  1  -0.0  0.75  0.32  1.0
  Si  Si19  1  -0.0  0.75  0.63  1.0
  Si  Si20  1  0.0  0.0  0.91  1.0
  Si  Si21  1  0.0  0.0  0.97  1.0
  Si  Si22  1  0.25  0.88  0.26  1.0
  Si  Si23  1  0.25  0.88  0.57  1.0

In In In In In In In In In In In In In In In In In In Si Si Si Si Si Si