# generated using pymatgen
data_Ti5Ge4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.65395888
_cell_length_b   6.75821358
_cell_length_c   12.79339107
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti5Ge4
_chemical_formula_sum   'Ti20 Ge16'
_cell_volume   575.30440722
_cell_formula_units_Z   4
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  0.17358263  0.50339716  0.75000000  1.0
  Ti  Ti1  1  0.67358263  0.99660284  0.75000000  1.0
  Ti  Ti2  1  0.82641737  0.49660284  0.25000000  1.0
  Ti  Ti3  1  0.32641737  0.00339716  0.25000000  1.0
  Ti  Ti4  1  0.35084308  0.83398175  0.87432728  1.0
  Ti  Ti5  1  0.85084308  0.66601825  0.62567272  1.0
  Ti  Ti6  1  0.64915692  0.16601825  0.37432728  1.0
  Ti  Ti7  1  0.14915692  0.33398175  0.12567272  1.0
  Ti  Ti8  1  0.64915692  0.16601825  0.12567272  1.0
  Ti  Ti9  1  0.14915692  0.33398175  0.37432728  1.0
  Ti  Ti10  1  0.35084308  0.83398175  0.62567272  1.0
  Ti  Ti11  1  0.85084308  0.66601825  0.87432728  1.0
  Ti  Ti12  1  0.51422043  0.32189245  0.90624600  1.0
  Ti  Ti13  1  0.01422043  0.17810755  0.59375400  1.0
  Ti  Ti14  1  0.48577957  0.67810755  0.40624600  1.0
  Ti  Ti15  1  0.98577957  0.82189245  0.09375400  1.0
  Ti  Ti16  1  0.48577957  0.67810755  0.09375400  1.0
  Ti  Ti17  1  0.98577957  0.82189245  0.40624600  1.0
  Ti  Ti18  1  0.51422043  0.32189245  0.59375400  1.0
  Ti  Ti19  1  0.01422043  0.17810755  0.90624600  1.0
  Ge  Ge20  1  0.31765996  0.15164376  0.75000000  1.0
  Ge  Ge21  1  0.81765996  0.34835624  0.75000000  1.0
  Ge  Ge22  1  0.68234004  0.84835624  0.25000000  1.0
  Ge  Ge23  1  0.18234004  0.65164376  0.25000000  1.0
  Ge  Ge24  1  0.54672510  0.61092262  0.75000000  1.0
  Ge  Ge25  1  0.04672510  0.88907738  0.75000000  1.0
  Ge  Ge26  1  0.45327490  0.38907738  0.25000000  1.0
  Ge  Ge27  1  0.95327490  0.11092262  0.25000000  1.0
  Ge  Ge28  1  0.30696661  0.03706563  0.03966908  1.0
  Ge  Ge29  1  0.80696661  0.46293437  0.46033092  1.0
  Ge  Ge30  1  0.69303339  0.96293437  0.53966908  1.0
  Ge  Ge31  1  0.19303339  0.53706563  0.96033092  1.0
  Ge  Ge32  1  0.69303339  0.96293437  0.96033092  1.0
  Ge  Ge33  1  0.19303339  0.53706563  0.53966908  1.0
  Ge  Ge34  1  0.30696661  0.03706563  0.46033092  1.0
  Ge  Ge35  1  0.80696661  0.46293437  0.03966908  1.0