data_InSiSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   5.7
_cell_angle_alpha   132.36
_cell_angle_beta   132.36
_cell_angle_gamma   69.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSiSn2
_chemical_formula_sum   'In1 Si1 Sn2'
_cell_volume   99.23
_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  0.3  0.34  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.3  0.0  0.34  1.0
  Sn  Sn3  1  0.0  0.0  0.68  1.0

data_InSiSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   5.7
_cell_angle_alpha   113.82
_cell_angle_beta   113.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSiSn2
_chemical_formula_sum   'In1 Si1 Sn2'
_cell_volume   99.23
_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  0.04  0.34  0.04  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.34  0.04  0.04  1.0
  Sn  Sn3  1  0.68  0.68  0.68  1.0

In Si Sn Sn