data_InSiGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.49
_cell_length_b   9.49
_cell_length_c   9.49
_cell_angle_alpha   19.49
_cell_angle_beta   19.49
_cell_angle_gamma   19.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSiGe2
_chemical_formula_sum   'In1 Si1 Ge2'
_cell_volume   83.13
_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  In2  1  0.0  0.0  0.96  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.0  0.0  0.51  1.0
  Ge  Ge1  1  0.0  0.0  0.4  1.0

data_InSiGe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.56
_cell_length_b   3.21
_cell_length_c   9.49
_cell_angle_alpha   90.0
_cell_angle_beta   101.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   InSiGe2
_chemical_formula_sum   'In2 Si2 Ge4'
_cell_volume   166.26
_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  0.04  1.0
  Si  Si1  2  0.0  0.0  0.0  1.0
  Ge  Ge2  2  0.0  0.0  0.49  1.0
  Ge  Ge3  2  0.0  0.0  0.6  1.0

In Si Ge Ge