data_NbGe2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33
_cell_length_b   5.52
_cell_length_c   5.52
_cell_angle_alpha   35.4
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGe2B
_chemical_formula_sum   'Nb1 Ge2 B1'
_cell_volume   58.79
_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  0.67  0.0  0.61  1.0
  Ge  Ge1  1  0.67  0.0  0.67  1.0
  Ge  Ge2  1  0.0  0.0  0.77  1.0
  B  B0  1  0.0  0.0  0.1  1.0

data_NbGe2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   3.35
_cell_length_c   5.52
_cell_angle_alpha   107.7
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGe2B
_chemical_formula_sum   'Nb1 Ge2 B1'
_cell_volume   58.79
_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  0.33  0.61  0.61  1.0
  Ge  Ge1  1  0.0  0.77  0.77  1.0
  Ge  Ge2  1  0.33  0.67  0.67  1.0
  B  B3  1  0.0  0.1  0.1  1.0

Nb Ge Ge B
Nb Ge Ge B 0 1 o o o 0 2 + o o 1 2 + o o 2 3 o o + 