# generated using pymatgen
data_Nb5Ge2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56211700
_cell_length_b   6.56211700
_cell_length_c   7.57970866
_cell_angle_alpha   115.65009177
_cell_angle_beta   115.65009177
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb5Ge2B
_chemical_formula_sum   'Nb10 Ge4 B2'
_cell_volume   258.08566530
_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
  Nb  Nb0  1  0.50000000  0.50000000  0.00000000  1.0
  Nb  Nb1  1  0.00000000  0.00000000  0.00000000  1.0
  Nb  Nb2  1  0.99071200  0.82495500  0.31566700  1.0
  Nb  Nb3  1  0.32495500  0.49071200  0.31566700  1.0
  Nb  Nb4  1  0.82495500  0.32495500  0.31566700  1.0
  Nb  Nb5  1  0.49071200  0.99071200  0.31566700  1.0
  Nb  Nb6  1  0.00928800  0.17504500  0.68433300  1.0
  Nb  Nb7  1  0.67504500  0.50928800  0.68433300  1.0
  Nb  Nb8  1  0.17504500  0.67504500  0.68433300  1.0
  Nb  Nb9  1  0.50928800  0.00928800  0.68433300  1.0
  Ge  Ge10  1  0.63318600  0.86681400  0.00000000  1.0
  Ge  Ge11  1  0.36681400  0.13318600  0.00000000  1.0
  Ge  Ge12  1  0.86681400  0.36681400  0.00000000  1.0
  Ge  Ge13  1  0.13318600  0.63318600  0.00000000  1.0
  B  B14  1  0.75000000  0.75000000  0.50000000  1.0
  B  B15  1  0.25000000  0.25000000  0.50000000  1.0