# generated using pymatgen
data_ZrSc2NbRu4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42223826
_cell_length_b   4.52683542
_cell_length_c   9.06019593
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00035446
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSc2NbRu4
_chemical_formula_sum   'Zr2 Sc4 Nb2 Ru8'
_cell_volume   263.40178191
_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  0.25001380  0.25000100  0.12480614  1.0
  Zr  Zr1  1  0.75001629  0.75000000  0.37519092  1.0
  Sc  Sc2  1  0.75001472  0.25000100  0.12396255  1.0
  Sc  Sc3  1  0.25002330  0.75000000  0.37603418  1.0
  Sc  Sc4  1  0.74998855  0.25000100  0.62576256  1.0
  Sc  Sc5  1  0.24997448  0.75000000  0.87424012  1.0
  Nb  Nb6  1  0.24999312  0.25000100  0.62506467  1.0
  Nb  Nb7  1  0.74997492  0.75000000  0.87494292  1.0
  Ru  Ru8  1  0.50356211  0.75000000  0.11986106  1.0
  Ru  Ru9  1  0.99645900  0.75000000  0.11986733  1.0
  Ru  Ru10  1  0.49646631  0.25000100  0.38012999  1.0
  Ru  Ru11  1  0.00356854  0.25000100  0.38013532  1.0
  Ru  Ru12  1  0.00346154  0.75000000  0.62973864  1.0
  Ru  Ru13  1  0.49652068  0.75000000  0.62974186  1.0
  Ru  Ru14  1  0.99650949  0.25000100  0.87026297  1.0
  Ru  Ru15  1  0.50345313  0.25000100  0.87026178  1.0