# generated using pymatgen
data_Ta3Ti2BeRu6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.35319955
_cell_length_b   6.17201367
_cell_length_c   13.07078027
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00035687
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Ti2BeRu6
_chemical_formula_sum   'Ta6 Ti4 Be2 Ru12'
_cell_volume   351.18581736
_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
  Ta  Ta0  1  0.00001051  0.00000000  0.00701480  1.0
  Ta  Ta1  1  0.49994847  0.50000000  0.15967516  1.0
  Ta  Ta2  1  0.99996511  0.00000000  0.32417625  1.0
  Ta  Ta3  1  0.49999106  0.50000000  0.49867876  1.0
  Ta  Ta4  1  0.00005000  0.00000000  0.66810713  1.0
  Ta  Ta5  1  0.50005124  0.50000000  0.84250196  1.0
  Ti  Ti6  1  0.99995950  0.50000000  0.33042918  1.0
  Ti  Ti7  1  0.49999587  0.00000000  0.49859234  1.0
  Ti  Ti8  1  0.00003608  0.50000000  0.66813583  1.0
  Ti  Ti9  1  0.50004577  0.00000000  0.83626251  1.0
  Be  Be10  1  0.00000087  0.50000000  0.00230246  1.0
  Be  Be11  1  0.49994831  0.00000000  0.16398391  1.0
  Ru  Ru12  1  0.50000394  0.24856562  0.00104308  1.0
  Ru  Ru13  1  0.50000394  0.75143438  0.00104308  1.0
  Ru  Ru14  1  0.99996345  0.25143676  0.16557886  1.0
  Ru  Ru15  1  0.99996345  0.74856224  0.16557886  1.0
  Ru  Ru16  1  0.49996212  0.24956883  0.33000680  1.0
  Ru  Ru17  1  0.49996212  0.75043217  0.33000680  1.0
  Ru  Ru18  1  0.99999435  0.24921260  0.49795955  1.0
  Ru  Ru19  1  0.99999435  0.75078740  0.49795955  1.0
  Ru  Ru20  1  0.50003771  0.25078603  0.66879709  1.0
  Ru  Ru21  1  0.50003771  0.74921497  0.66879709  1.0
  Ru  Ru22  1  0.00004004  0.25042713  0.83668598  1.0
  Ru  Ru23  1  0.00004004  0.74957187  0.83668598  1.0