# generated using pymatgen
data_ZrSc(Zn4Ru)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97264258
_cell_length_b   4.97264282
_cell_length_c   8.07102080
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999841
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSc(Zn4Ru)2
_chemical_formula_sum   'Zr1 Sc1 Zn8 Ru2'
_cell_volume   172.83576465
_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  0.66666700  0.33333300  0.43339517  1.0
  Sc  Sc1  1  0.33333300  0.66666700  0.93443294  1.0
  Zn  Zn2  1  0.00000000  0.00000000  0.00175463  1.0
  Zn  Zn3  1  0.00000000  0.00000000  0.50328690  1.0
  Zn  Zn4  1  0.17089929  0.34179558  0.24763127  1.0
  Zn  Zn5  1  0.82892935  0.17107065  0.75143156  1.0
  Zn  Zn6  1  0.34213930  0.17107065  0.75143156  1.0
  Zn  Zn7  1  0.65820442  0.82910071  0.24763127  1.0
  Zn  Zn8  1  0.17089929  0.82910071  0.24763127  1.0
  Zn  Zn9  1  0.82892935  0.65786070  0.75143156  1.0
  Ru  Ru10  1  0.33333300  0.66666700  0.55891636  1.0
  Ru  Ru11  1  0.66666700  0.33333300  0.07102451  1.0