data_NaGeB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.14
_cell_length_b   5.78
_cell_length_c   3.3
_cell_angle_alpha   80.09
_cell_angle_beta   67.98
_cell_angle_gamma   31.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaGeB
_chemical_formula_sum   'Na1 Ge1 B1'
_cell_volume   54.71
_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
  Na  Na2  1  0.81  0.75  0.79  1.0
  Ge  Ge1  1  0.81  0.75  0.8  1.0
  B  B0  1  0.81  0.75  0.39  1.0

data_NaGeB
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.62
_cell_length_b   10.97
_cell_length_c   3.3
_cell_angle_alpha   90.0
_cell_angle_beta   123.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaGeB
_chemical_formula_sum   'Na2 Ge2 B2'
_cell_volume   109.42
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Na  Na0  2  0.15  0.5  0.4  1.0
  Ge  Ge1  2  0.14  0.5  0.39  1.0
  B  B2  2  0.05  0.0  0.8  1.0

Na Ge B
Na Ge B 0 1 o o o 0 2 o o o 1 2 o o o 