# generated using pymatgen
data_Ta6CrB6Ru5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12692946
_cell_length_b   6.35951425
_cell_length_c   10.82151521
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta6CrB6Ru5
_chemical_formula_sum   'Ta6 Cr1 B6 Ru5'
_cell_volume   215.19397247
_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  0.27886733  0.95771606  1.0
  Ta  Ta1  1  0.00000000  0.72482559  0.05142868  1.0
  Ta  Ta2  1  0.00000000  0.27886733  0.54228394  1.0
  Ta  Ta3  1  0.00000000  0.72482559  0.44857132  1.0
  Ta  Ta4  1  0.00000000  0.36144132  0.25000000  1.0
  Ta  Ta5  1  0.00000000  0.64407755  0.75000000  1.0
  Cr  Cr6  1  0.50000000  0.69822956  0.25000000  1.0
  B  B7  1  0.00000000  0.93485425  0.25000000  1.0
  B  B8  1  0.00000000  0.04777966  0.75000000  1.0
  B  B9  1  0.50000000  0.45389024  0.08701043  1.0
  B  B10  1  0.50000000  0.55041022  0.91716606  1.0
  B  B11  1  0.50000000  0.45389024  0.41298957  1.0
  B  B12  1  0.50000000  0.55041022  0.58283394  1.0
  Ru  Ru13  1  0.50000000  0.07425357  0.12427572  1.0
  Ru  Ru14  1  0.50000000  0.92568322  0.87612197  1.0
  Ru  Ru15  1  0.50000000  0.07425357  0.37572428  1.0
  Ru  Ru16  1  0.50000000  0.92568322  0.62387803  1.0
  Ru  Ru17  1  0.50000000  0.29775535  0.75000000  1.0