data_InGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   10.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGe
_chemical_formula_sum   'In2 Ge2'
_cell_volume   94.15
_cell_formula_units_Z   2
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  0.61  0.93  0.74  1.0
  In  In3  1  0.0  0.86  0.74  1.0
  Ge  Ge0  1  0.61  0.93  0.42  1.0
  Ge  Ge1  1  0.0  0.86  0.06  1.0

data_InGe
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   10.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   InGe
_chemical_formula_sum   'In2 Ge2'
_cell_volume   94.15
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.31  0.54  0.5  1.0
  Ge  Ge1  2  0.31  0.54  0.18  1.0

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