# generated using pymatgen
data_TaSiRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.39614141
_cell_length_b   7.39614141
_cell_length_c   7.39614141
_cell_angle_alpha   128.10809356
_cell_angle_beta   121.14894170
_cell_angle_gamma   82.27540367
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSiRu
_chemical_formula_sum   'Ta6 Si6 Ru6'
_cell_volume   261.99110450
_cell_formula_units_Z   6
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  0.94622833  0.90418798  0.45796065  1.0
  Ta  Ta1  1  0.05377167  0.51173232  0.95796065  1.0
  Ta  Ta2  1  0.53082943  0.50306459  0.47223416  1.0
  Ta  Ta3  1  0.46917057  0.94140473  0.97223416  1.0
  Ta  Ta4  1  0.74904735  0.08243857  0.83339121  1.0
  Ta  Ta5  1  0.25095265  0.08434386  0.33339121  1.0
  Si  Si6  1  0.72141373  0.47112777  0.24971304  1.0
  Si  Si7  1  0.27858627  0.52829930  0.74971304  1.0
  Si  Si8  1  0.67029285  0.17037462  0.50703557  1.0
  Si  Si9  1  0.32970715  0.83674371  0.50008177  1.0
  Si  Si10  1  0.16333906  0.17037462  0.00008177  1.0
  Si  Si11  1  0.83666094  0.83674371  0.00703557  1.0
  Ru  Ru12  1  0.50000000  0.75059422  0.25059422  1.0
  Ru  Ru13  1  -0.00000000  0.75059422  0.75059422  1.0
  Ru  Ru14  1  0.90884277  0.25475930  0.41197185  1.0
  Ru  Ru15  1  0.09115723  0.50312908  0.34591653  1.0
  Ru  Ru16  1  0.34278745  0.25475930  0.84591653  1.0
  Ru  Ru17  1  0.65721255  0.50312908  0.91197185  1.0