# generated using pymatgen
data_Zr2Sc3SnRu6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54304714
_cell_length_b   6.45291181
_cell_length_c   13.60445407
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00005393
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Sc3SnRu6
_chemical_formula_sum   'Zr4 Sc6 Sn2 Ru12'
_cell_volume   398.82657783
_cell_formula_units_Z   2
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
  Zr  Zr0  1  0.00000455  0.00000000  0.99856540  1.0
  Zr  Zr1  1  0.49998572  0.50000100  0.16437557  1.0
  Zr  Zr2  1  0.99998453  0.00000000  0.33569783  1.0
  Zr  Zr3  1  0.49999918  0.50000100  0.50143175  1.0
  Sc  Sc4  1  0.99999866  0.50000100  0.99528190  1.0
  Sc  Sc5  1  0.49998971  0.00000000  0.16779529  1.0
  Sc  Sc6  1  0.99998567  0.50000100  0.33229408  1.0
  Sc  Sc7  1  0.49999735  0.00000000  0.50470841  1.0
  Sc  Sc8  1  0.00001180  0.50000100  0.67211303  1.0
  Sc  Sc9  1  0.50001647  0.00000000  0.82778704  1.0
  Sn  Sn10  1  0.00001045  0.00000000  0.66750172  1.0
  Sn  Sn11  1  0.50001414  0.50000100  0.83244080  1.0
  Ru  Ru12  1  0.50000184  0.24919676  0.99861226  1.0
  Ru  Ru13  1  0.50000184  0.75080424  0.99861226  1.0
  Ru  Ru14  1  0.99998882  0.24979681  0.16590651  1.0
  Ru  Ru15  1  0.99998882  0.75020219  0.16590651  1.0
  Ru  Ru16  1  0.49998860  0.25020352  0.33418088  1.0
  Ru  Ru17  1  0.49998860  0.74979648  0.33418088  1.0
  Ru  Ru18  1  0.99999893  0.25080501  0.50138653  1.0
  Ru  Ru19  1  0.99999893  0.74919599  0.50138653  1.0
  Ru  Ru20  1  0.50001044  0.25347104  0.66526021  1.0
  Ru  Ru21  1  0.50001044  0.74652896  0.66526021  1.0
  Ru  Ru22  1  0.00001375  0.24653314  0.83465820  1.0
  Ru  Ru23  1  0.00001375  0.75346586  0.83465820  1.0