# generated using pymatgen
data_Ti6Ge2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.81480343
_cell_length_b   6.81480343
_cell_length_c   3.35399073
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000804
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti6Ge2B
_chemical_formula_sum   'Ti6 Ge2 B1'
_cell_volume   134.89601519
_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  0.00000000  0.76479110  0.00000000  1.0
  Ti  Ti1  1  0.23520890  0.23520890  -0.00000000  1.0
  Ti  Ti2  1  0.76479110  0.00000000  -0.00000000  1.0
  Ti  Ti3  1  -0.00000000  0.39463513  0.50000000  1.0
  Ti  Ti4  1  0.60536487  0.60536487  0.50000000  1.0
  Ti  Ti5  1  0.39463513  -0.00000000  0.50000000  1.0
  Ge  Ge6  1  0.33333300  0.66666700  0.00000000  1.0
  Ge  Ge7  1  0.66666700  0.33333300  -0.00000000  1.0
  B  B8  1  0.00000000  -0.00000000  0.50000000  1.0