# generated using pymatgen
data_Ti2Be17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54789431
_cell_length_b   5.54789575
_cell_length_c   5.54789622
_cell_angle_alpha   82.87583624
_cell_angle_beta   82.87584100
_cell_angle_gamma   82.87584391
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2Be17
_chemical_formula_sum   'Ti2 Be17'
_cell_volume   167.10646690
_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  0.16363020  0.16363020  0.16362920  1.0
  Ti  Ti1  1  0.83636980  0.83636980  0.83637080  1.0
  Be  Be2  1  0.40090154  0.40090154  0.40090154  1.0
  Be  Be3  1  0.59909846  0.59909846  0.59909846  1.0
  Be  Be4  1  0.50000000  0.50000000  -0.00000000  1.0
  Be  Be5  1  -0.00000000  0.50000000  0.50000000  1.0
  Be  Be6  1  0.50000000  0.00000000  0.50000000  1.0
  Be  Be7  1  0.79558268  0.50000000  0.20441732  1.0
  Be  Be8  1  0.20441732  0.79558268  0.50000000  1.0
  Be  Be9  1  0.50000000  0.20441732  0.79558268  1.0
  Be  Be10  1  0.20441732  0.50000000  0.79558268  1.0
  Be  Be11  1  0.79558268  0.20441732  0.50000000  1.0
  Be  Be12  1  0.50000000  0.79558268  0.20441732  1.0
  Be  Be13  1  0.15293866  0.66038910  0.15293766  1.0
  Be  Be14  1  0.15293766  0.15293766  0.66038910  1.0
  Be  Be15  1  0.66038910  0.15293766  0.15293766  1.0
  Be  Be16  1  0.33961090  0.84706234  0.84706234  1.0
  Be  Be17  1  0.84706134  0.33961090  0.84706234  1.0
  Be  Be18  1  0.84706234  0.84706234  0.33961090  1.0