# generated using pymatgen
data_ZrSc6Ta5Ru12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.50019330
_cell_length_b   6.35352001
_cell_length_c   13.50233112
_cell_angle_alpha   89.99989257
_cell_angle_beta   90.00006664
_cell_angle_gamma   89.99994803
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSc6Ta5Ru12
_chemical_formula_sum   'Zr1 Sc6 Ta5 Ru12'
_cell_volume   386.05957212
_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
  Zr  Zr0  1  0.50000721  0.49999900  0.83335184  1.0
  Sc  Sc1  1  0.99999941  0.50000100  0.00094944  1.0
  Sc  Sc2  1  0.49999055  0.99999800  0.16722199  1.0
  Sc  Sc3  1  0.99999152  0.49999600  0.33328615  1.0
  Sc  Sc4  1  0.50000210  0.00000300  0.49939870  1.0
  Sc  Sc5  1  0.00001281  0.49999900  0.66576184  1.0
  Sc  Sc6  1  0.50000444  0.00000000  0.83338462  1.0
  Ta  Ta7  1  0.99999604  1.00000000  0.00014947  1.0
  Ta  Ta8  1  0.49998927  0.49999900  0.16706612  1.0
  Ta  Ta9  1  0.99999052  0.99999900  0.33331331  1.0
  Ta  Ta10  1  0.50000347  0.50000100  0.49958061  1.0
  Ta  Ta11  1  0.00000900  0.00000000  0.66653332  1.0
  Ru  Ru12  1  0.49999855  0.24675658  0.00393388  1.0
  Ru  Ru13  1  0.49999755  0.75324142  0.00393388  1.0
  Ru  Ru14  1  0.99999170  0.25018267  0.16780761  1.0
  Ru  Ru15  1  0.99999170  0.74981833  0.16780761  1.0
  Ru  Ru16  1  0.49999262  0.25004297  0.33331012  1.0
  Ru  Ru17  1  0.49999262  0.74995703  0.33331012  1.0
  Ru  Ru18  1  0.00000305  0.25018964  0.49883258  1.0
  Ru  Ru19  1  0.00000305  0.74980936  0.49883258  1.0
  Ru  Ru20  1  0.50001116  0.24675237  0.66275606  1.0
  Ru  Ru21  1  0.50001016  0.75324763  0.66275706  1.0
  Ru  Ru22  1  0.00000775  0.24294772  0.83336054  1.0
  Ru  Ru23  1  0.00000775  0.75705228  0.83336154  1.0