data_InSiGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   3.11
_cell_length_c   8.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSiGe2
_chemical_formula_sum   'In1 Si1 Ge2'
_cell_volume   82.76
_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  0.47  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.86  0.0  0.85  1.0
  Ge  Ge1  1  0.86  0.0  0.08  1.0

data_InSiGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   3.11
_cell_length_c   8.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSiGe2
_chemical_formula_sum   'In1 Si1 Ge2'
_cell_volume   82.76
_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  0.47  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.86  0.0  0.08  1.0
  Ge  Ge3  1  0.86  0.0  0.85  1.0

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