# generated using pymatgen
data_Ta3CrB3Ru2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.10792686
_cell_length_b   6.33502004
_cell_length_c   10.79400686
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3CrB3Ru2
_chemical_formula_sum   'Ta6 Cr2 B6 Ru4'
_cell_volume   212.52081480
_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  0.00000000  0.22628391  0.95080098  1.0
  Ta  Ta1  1  0.00000000  0.77371609  0.04919902  1.0
  Ta  Ta2  1  0.00000000  0.22628391  0.54919902  1.0
  Ta  Ta3  1  0.00000000  0.77371609  0.45080098  1.0
  Ta  Ta4  1  0.00000000  0.13811065  0.25000000  1.0
  Ta  Ta5  1  0.00000000  0.86188935  0.75000000  1.0
  Cr  Cr6  1  0.50000000  0.80214920  0.25000000  1.0
  Cr  Cr7  1  0.50000000  0.19785080  0.75000000  1.0
  B  B8  1  0.50000000  0.04792719  0.08617585  1.0
  B  B9  1  0.50000000  0.95207281  0.91382415  1.0
  B  B10  1  0.50000000  0.04792719  0.41382415  1.0
  B  B11  1  0.50000000  0.95207281  0.58617585  1.0
  B  B12  1  0.00000000  0.56158516  0.25000000  1.0
  B  B13  1  0.00000000  0.43841484  0.75000000  1.0
  Ru  Ru14  1  0.50000000  0.42593674  0.12362150  1.0
  Ru  Ru15  1  0.50000000  0.57406326  0.87637850  1.0
  Ru  Ru16  1  0.50000000  0.42593674  0.37637850  1.0
  Ru  Ru17  1  0.50000000  0.57406326  0.62362150  1.0