data_GeB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   4.65
_cell_angle_alpha   91.42
_cell_angle_beta   91.42
_cell_angle_gamma   36.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeB2
_chemical_formula_sum   'Ge2 B4'
_cell_volume   65.64
_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
  Ge  Ge4  1  0.73  0.0  0.56  1.0
  Ge  Ge5  1  0.41  0.0  0.09  1.0
  B  B0  1  0.06  0.0  0.48  1.0
  B  B1  1  0.17  0.0  1.0  1.0
  B  B2  1  0.97  0.0  0.65  1.0
  B  B3  1  0.08  0.0  0.17  1.0

data_GeB2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.05
_cell_length_b   4.65
_cell_length_c   4.88
_cell_angle_alpha   91.42
_cell_angle_beta   108.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   GeB2
_chemical_formula_sum   'Ge2 B4'
_cell_volume   65.64
_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
  Ge  Ge0  2  0.0  0.24  0.66  1.0
  B  B1  2  0.0  0.16  0.99  1.0
  B  B2  2  0.0  0.33  0.9  1.0

Ge Ge B B B B