# generated using pymatgen
data_MgNb(SnRu2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.47710611
_cell_length_b   6.34808634
_cell_length_c   13.40870434
_cell_angle_alpha   89.99995640
_cell_angle_beta   90.00010500
_cell_angle_gamma   90.00058925
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNb(SnRu2)2
_chemical_formula_sum   'Mg3 Nb3 Sn6 Ru12'
_cell_volume   381.08953836
_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
  Mg  Mg0  1  0.99999953  0.99999959  0.00020978  1.0
  Mg  Mg1  1  0.49999833  0.49999969  0.16665320  1.0
  Mg  Mg2  1  0.99999838  0.00000249  0.33311575  1.0
  Nb  Nb3  1  0.49999625  0.50000099  0.49321924  1.0
  Nb  Nb4  1  0.00000995  0.99999971  0.66667462  1.0
  Nb  Nb5  1  0.50002355  0.49999977  0.84012169  1.0
  Sn  Sn6  1  0.00000436  0.49999989  0.00730917  1.0
  Sn  Sn7  1  0.49998640  0.00000015  0.16665345  1.0
  Sn  Sn8  1  0.99998947  0.50000066  0.32602161  1.0
  Sn  Sn9  1  0.49999958  0.00000053  0.49650104  1.0
  Sn  Sn10  1  0.00000641  0.50000102  0.66666462  1.0
  Sn  Sn11  1  0.50001280  0.99999911  0.83684955  1.0
  Ru  Ru12  1  0.50000283  0.25234835  0.99573663  1.0
  Ru  Ru13  1  0.50000086  0.74765140  0.99573646  1.0
  Ru  Ru14  1  0.99998381  0.24345045  0.16665061  1.0
  Ru  Ru15  1  0.99998530  0.75655163  0.16665066  1.0
  Ru  Ru16  1  0.49999002  0.25234588  0.33757771  1.0
  Ru  Ru17  1  0.49998769  0.74765534  0.33757785  1.0
  Ru  Ru18  1  0.99999395  0.25325422  0.50346812  1.0
  Ru  Ru19  1  0.99999909  0.74674675  0.50346828  1.0
  Ru  Ru20  1  0.50000847  0.24696297  0.66668154  1.0
  Ru  Ru21  1  0.50000566  0.75303710  0.66668148  1.0
  Ru  Ru22  1  0.00000938  0.25327101  0.82988959  1.0
  Ru  Ru23  1  0.00001395  0.74672828  0.82988934  1.0