# generated using pymatgen
data_Ti2Nb8Ge6B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.68530598
_cell_length_b   7.68530605
_cell_length_c   5.28481185
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000400
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2Nb8Ge6B
_chemical_formula_sum   'Ti2 Nb8 Ge6 B1'
_cell_volume   270.32267385
_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
  Ti  Ti0  1  0.66666700  0.33333300  0.00000000  1.0
  Ti  Ti1  1  0.33333300  0.66666700  0.00000000  1.0
  Nb  Nb2  1  1.00000000  0.75739903  0.24849509  1.0
  Nb  Nb3  1  0.24260097  0.24260097  0.24849509  1.0
  Nb  Nb4  1  0.75739903  1.00000000  0.24849509  1.0
  Nb  Nb5  1  0.00000000  0.24260097  0.75150491  1.0
  Nb  Nb6  1  0.75739903  0.75739903  0.75150491  1.0
  Nb  Nb7  1  0.24260097  0.00000000  0.75150491  1.0
  Nb  Nb8  1  0.33333300  0.66666700  0.50000000  1.0
  Nb  Nb9  1  0.66666700  0.33333300  0.50000000  1.0
  Ge  Ge10  1  0.00000000  0.39903502  0.24079896  1.0
  Ge  Ge11  1  0.60096498  0.60096498  0.24079896  1.0
  Ge  Ge12  1  0.39903502  0.00000000  0.24079896  1.0
  Ge  Ge13  1  1.00000000  0.60096498  0.75920104  1.0
  Ge  Ge14  1  0.39903502  0.39903502  0.75920104  1.0
  Ge  Ge15  1  0.60096498  1.00000000  0.75920104  1.0
  B  B16  1  0.00000000  0.00000000  0.50000000  1.0