# generated using pymatgen
data_NbCr(BRu)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99574130
_cell_length_b   8.82614076
_cell_length_c   8.82633203
_cell_angle_alpha   119.99928369
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCr(BRu)2
_chemical_formula_sum   'Nb3 Cr3 B6 Ru6'
_cell_volume   202.11064296
_cell_formula_units_Z   3
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  0.59173447  1.00000000  1.0
  Nb  Nb1  1  0.00000000  0.40830324  0.40830576  1.0
  Nb  Nb2  1  0.00000000  0.99999848  0.59169424  1.0
  Cr  Cr3  1  0.00000000  0.82671533  0.82674607  1.0
  Cr  Cr4  1  0.00000000  0.99996826  0.17325393  1.0
  Cr  Cr5  1  0.00000000  0.17321977  0.00000000  1.0
  B  B6  1  0.50000000  0.99997614  0.00000000  1.0
  B  B7  1  0.50000000  0.80166460  0.00000000  1.0
  B  B8  1  0.50000000  0.19830562  0.19832941  1.0
  B  B9  1  0.50000000  0.99997622  0.80167059  1.0
  B  B10  1  0.00000000  0.33333390  0.66667389  1.0
  B  B11  1  0.00000000  0.66666000  0.33332611  1.0
  Ru  Ru12  1  0.50000000  0.53679228  0.71860227  1.0
  Ru  Ru13  1  0.50000000  0.18177977  0.46323243  1.0
  Ru  Ru14  1  0.50000000  0.28145512  0.81817869  1.0
  Ru  Ru15  1  0.50000000  0.81819101  0.28139773  1.0
  Ru  Ru16  1  0.50000000  0.71854834  0.53676757  1.0
  Ru  Ru17  1  0.50000000  0.46327643  0.18182131  1.0