# generated using pymatgen
data_Nb6ZnIn5Ru12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.47562386
_cell_length_b   6.33119785
_cell_length_c   13.42340433
_cell_angle_alpha   90.00013798
_cell_angle_beta   90.00114442
_cell_angle_gamma   89.99948459
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb6ZnIn5Ru12
_chemical_formula_sum   'Nb6 Zn1 In5 Ru12'
_cell_volume   380.36639266
_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  0.99998652  0.50001878  0.99521488  1.0
  Nb  Nb1  1  0.49989223  0.00000801  0.16390618  1.0
  Nb  Nb2  1  0.99973791  0.49997876  0.33334530  1.0
  Nb  Nb3  1  0.50004974  0.00001183  0.50275748  1.0
  Nb  Nb4  1  0.00015666  0.49999444  0.67144052  1.0
  Nb  Nb5  1  0.50016936  0.00003405  0.83334185  1.0
  Zn  Zn6  1  0.50018752  0.49999706  0.83330723  1.0
  In  In7  1  0.00000059  0.00000627  0.99864181  1.0
  In  In8  1  0.49984765  0.50000476  0.16534464  1.0
  In  In9  1  0.99981537  0.99998259  0.33330272  1.0
  In  In10  1  0.49998926  0.50001674  0.50132996  1.0
  In  In11  1  0.00013604  0.99997348  0.66806581  1.0
  Ru  Ru12  1  0.50000228  0.25368164  0.99643275  1.0
  Ru  Ru13  1  0.50000410  0.74633992  0.99643068  1.0
  Ru  Ru14  1  0.99985810  0.24941095  0.16614416  1.0
  Ru  Ru15  1  0.99985704  0.75058733  0.16613538  1.0
  Ru  Ru16  1  0.49982057  0.24988886  0.33334316  1.0
  Ru  Ru17  1  0.49982534  0.75010402  0.33333644  1.0
  Ru  Ru18  1  0.00000594  0.24935907  0.50052089  1.0
  Ru  Ru19  1  0.00000562  0.75064210  0.50051852  1.0
  Ru  Ru20  1  0.50013547  0.25364869  0.67022116  1.0
  Ru  Ru21  1  0.50015356  0.74632257  0.67022670  1.0
  Ru  Ru22  1  0.00017097  0.25724624  0.83334501  1.0
  Ru  Ru23  1  0.00019114  0.74274284  0.83334679  1.0