# generated using pymatgen
data_Mg3Nb(B4Ru5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95032382
_cell_length_b   8.39509774
_cell_length_c   10.02057813
_cell_angle_alpha   90.63110488
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Nb(B4Ru5)2
_chemical_formula_sum   'Mg3 Nb1 B8 Ru10'
_cell_volume   248.17719713
_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
  Mg  Mg0  1  0.50000000  0.35190285  0.19077664  1.0
  Mg  Mg1  1  0.50000000  0.15358788  0.67408031  1.0
  Mg  Mg2  1  0.50000000  0.85313606  0.31282007  1.0
  Nb  Nb3  1  0.50000000  0.65352965  0.82023064  1.0
  B  B4  1  0.50000000  0.85472328  0.59660500  1.0
  B  B5  1  0.50000000  0.14482561  0.39438218  1.0
  B  B6  1  0.50000000  0.34592138  0.90038178  1.0
  B  B7  1  0.50000000  0.64686721  0.10822202  1.0
  B  B8  1  0.50000000  0.96295921  0.90875955  1.0
  B  B9  1  0.50000000  0.04003676  0.08824823  1.0
  B  B10  1  0.50000000  0.45666237  0.59002439  1.0
  B  B11  1  0.50000000  0.53685229  0.41292253  1.0
  Ru  Ru12  1  0.00000000  0.39941248  0.74144209  1.0
  Ru  Ru13  1  0.00000000  0.60439766  0.26578164  1.0
  Ru  Ru14  1  0.00000000  0.90200373  0.75975599  1.0
  Ru  Ru15  1  0.00000000  0.10376332  0.23481535  1.0
  Ru  Ru16  1  0.00000000  0.99866129  0.49730182  1.0
  Ru  Ru17  1  0.00000000  0.49934501  0.00090990  1.0
  Ru  Ru18  1  0.00000000  0.65519988  0.55588973  1.0
  Ru  Ru19  1  0.00000000  0.34308640  0.45449920  1.0
  Ru  Ru20  1  0.00000000  0.15486424  0.95056790  1.0
  Ru  Ru21  1  0.00000000  0.83826243  0.04158305  1.0