# generated using pymatgen
data_Nb6CrB6Ru5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14424309
_cell_length_b   6.38653621
_cell_length_c   10.86633135
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb6CrB6Ru5
_chemical_formula_sum   'Nb6 Cr1 B6 Ru5'
_cell_volume   218.20486913
_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
  Nb  Nb0  1  0.00000000  0.27751032  0.95755645  1.0
  Nb  Nb1  1  0.00000000  0.72634148  0.05111867  1.0
  Nb  Nb2  1  0.00000000  0.27751032  0.54244355  1.0
  Nb  Nb3  1  0.00000000  0.72634148  0.44888133  1.0
  Nb  Nb4  1  0.00000000  0.36191114  0.25000000  1.0
  Nb  Nb5  1  0.00000000  0.64334807  0.75000000  1.0
  Cr  Cr6  1  0.50000000  0.69918099  0.25000000  1.0
  B  B7  1  0.00000000  0.93749101  0.25000000  1.0
  B  B8  1  0.00000000  0.04728414  0.75000000  1.0
  B  B9  1  0.50000000  0.45407991  0.08634777  1.0
  B  B10  1  0.50000000  0.54978502  0.91736517  1.0
  B  B11  1  0.50000000  0.45407991  0.41365223  1.0
  B  B12  1  0.50000000  0.54978502  0.58263483  1.0
  Ru  Ru13  1  0.50000000  0.07320151  0.12471997  1.0
  Ru  Ru14  1  0.50000000  0.92641362  0.87575401  1.0
  Ru  Ru15  1  0.50000000  0.07320151  0.37528003  1.0
  Ru  Ru16  1  0.50000000  0.92641362  0.62424599  1.0
  Ru  Ru17  1  0.50000000  0.29612093  0.75000000  1.0