data_InGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.28
_cell_length_b   6.28
_cell_length_c   7.62
_cell_angle_alpha   104.49
_cell_angle_beta   104.49
_cell_angle_gamma   29.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGe
_chemical_formula_sum   'In3 Ge3'
_cell_volume   142.56
_cell_formula_units_Z   3
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  In3  1  0.12  0.0  0.1  1.0
  In  In4  1  0.45  0.0  0.37  1.0
  In  In5  1  0.98  0.0  1.0  1.0
  Ge  Ge0  1  0.66  0.0  0.57  1.0
  Ge  Ge1  1  0.68  0.0  0.67  1.0
  Ge  Ge2  1  0.01  0.0  0.15  1.0

data_InGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   6.28
_cell_length_c   7.62
_cell_angle_alpha   104.49
_cell_angle_beta   90.0
_cell_angle_gamma   104.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGe
_chemical_formula_sum   'In3 Ge3'
_cell_volume   142.56
_cell_formula_units_Z   3
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  0.02  0.0  1.0
  In  In1  1  0.0  0.55  0.63  1.0
  In  In2  1  0.0  0.88  0.9  1.0
  Ge  Ge3  1  0.0  0.32  0.33  1.0
  Ge  Ge4  1  0.0  0.34  0.43  1.0
  Ge  Ge5  1  0.0  0.99  0.85  1.0

In In In Ge Ge Ge
In In In Ge Ge Ge 0 2 - o - 0 5 o o o 1 3 o o o 2 5 + o + 3 4 o o o 