data_GeB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74
_cell_length_b   3.53
_cell_length_c   6.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeB
_chemical_formula_sum   'Ge4 B4'
_cell_volume   124.32
_cell_formula_units_Z   4
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
  Ge  Ge4  1  0.35  0.88  0.12  1.0
  Ge  Ge5  1  0.27  0.65  0.18  1.0
  Ge  Ge6  1  0.48  0.88  0.95  1.0
  Ge  Ge7  1  0.4  0.65  0.01  1.0
  B  B0  1  0.32  0.88  0.18  1.0
  B  B1  1  0.29  0.65  0.12  1.0
  B  B2  1  0.45  0.88  0.01  1.0
  B  B3  1  0.42  0.65  0.95  1.0

data_GeB
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.53
_cell_length_b   5.74
_cell_length_c   6.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   GeB
_chemical_formula_sum   'Ge4 B4'
_cell_volume   124.32
_cell_formula_units_Z   4
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
  Ge  Ge0  2  0.12  0.48  0.55  1.0
  Ge  Ge1  2  0.12  0.6  0.38  1.0
  B  B2  2  0.12  0.45  0.62  1.0
  B  B3  2  0.12  0.58  0.45  1.0

Ge Ge Ge Ge B B B B