# generated using pymatgen
data_Ta6Be5BRu6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13821156
_cell_length_b   6.51013577
_cell_length_c   11.23001317
_cell_angle_alpha   89.96797602
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta6Be5BRu6
_chemical_formula_sum   'Ta6 Be5 B1 Ru6'
_cell_volume   229.43119208
_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
  Ta  Ta0  1  0.00000000  0.24112023  0.95401377  1.0
  Ta  Ta1  1  0.00000000  0.75815871  0.04589021  1.0
  Ta  Ta2  1  0.00000000  0.23027081  0.54711138  1.0
  Ta  Ta3  1  0.00000000  0.76622143  0.45746845  1.0
  Ta  Ta4  1  0.00000000  0.14998355  0.25266506  1.0
  Ta  Ta5  1  0.00000000  0.85385615  0.74293604  1.0
  Be  Be6  1  0.50000000  0.05230492  0.08986989  1.0
  Be  Be7  1  0.50000000  0.94647740  0.90833819  1.0
  Be  Be8  1  0.50000000  0.05053084  0.41414700  1.0
  Be  Be9  1  0.00000000  0.55017920  0.25218885  1.0
  Be  Be10  1  0.00000000  0.45148910  0.74925208  1.0
  B  B11  1  0.50000000  0.94808431  0.58625221  1.0
  Ru  Ru12  1  0.50000000  0.42286449  0.12214620  1.0
  Ru  Ru13  1  0.50000000  0.57708330  0.87728910  1.0
  Ru  Ru14  1  0.50000000  0.42140352  0.38131917  1.0
  Ru  Ru15  1  0.50000000  0.58034145  0.62047390  1.0
  Ru  Ru16  1  0.50000000  0.80508303  0.25192494  1.0
  Ru  Ru17  1  0.50000000  0.19454656  0.74671257  1.0