data_NbGe2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   4.91
_cell_angle_alpha   143.17
_cell_angle_beta   125.99
_cell_angle_gamma   67.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGe2B
_chemical_formula_sum   'Nb1 Ge2 B1'
_cell_volume   56.51
_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
  Nb  Nb3  1  0.0  0.0  0.09  1.0
  Ge  Ge1  1  0.0  0.23  0.44  1.0
  Ge  Ge2  1  0.55  0.0  0.65  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_NbGe2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.46
_cell_length_c   4.91
_cell_angle_alpha   117.0
_cell_angle_beta   108.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGe2B
_chemical_formula_sum   'Nb1 Ge2 B1'
_cell_volume   56.51
_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
  Nb  Nb0  1  0.91  0.91  0.91  1.0
  Ge  Ge1  1  0.56  0.79  0.79  1.0
  Ge  Ge2  1  0.9  0.35  0.9  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Nb Ge Ge B