data_In2SiSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51
_cell_length_b   3.51
_cell_length_c   8.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2SiSn
_chemical_formula_sum   'In2 Si1 Sn1'
_cell_volume   98.95
_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  0.01  1.0
  In  In1  1  0.76  0.76  0.28  1.0
  Si  Si2  1  0.0  0.0  0.06  1.0
  Sn  Sn3  1  0.76  0.76  0.68  1.0

data_In2SiSn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   8.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   In2SiSn
_chemical_formula_sum   'In4 Si2 Sn2'
_cell_volume   197.89
_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  0.0  0.0  0.01  1.0
  In  In1  2  0.26  0.5  0.28  1.0
  Si  Si2  2  0.0  0.0  0.06  1.0
  Sn  Sn3  2  0.26  0.5  0.68  1.0

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