# generated using pymatgen
data_ZrSc3(IrRu)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44643480
_cell_length_b   4.56488850
_cell_length_c   9.11575558
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.99905708
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSc3(IrRu)2
_chemical_formula_sum   'Zr2 Sc6 Ir4 Ru4'
_cell_volume   268.25167373
_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  0.99983200  0.75000000  0.12499122  1.0
  Zr  Zr1  1  0.50011110  0.75000000  0.12499331  1.0
  Sc  Sc2  1  0.00008651  0.25000000  0.37981791  1.0
  Sc  Sc3  1  0.49983401  0.25000000  0.37982336  1.0
  Sc  Sc4  1  0.49996336  0.75000000  0.62500849  1.0
  Sc  Sc5  1  0.00010422  0.75000000  0.62501186  1.0
  Sc  Sc6  1  0.49991759  0.25000000  0.87017590  1.0
  Sc  Sc7  1  0.00016479  0.25000000  0.87017925  1.0
  Ir  Ir8  1  0.74997089  0.25000000  0.12499301  1.0
  Ir  Ir9  1  0.24997822  0.75000000  0.37315740  1.0
  Ir  Ir10  1  0.75002446  0.25000000  0.62500566  1.0
  Ir  Ir11  1  0.25001997  0.75000000  0.87684180  1.0
  Ru  Ru12  1  0.24997731  0.25000000  0.12499091  1.0
  Ru  Ru13  1  0.74997993  0.75000000  0.37142358  1.0
  Ru  Ru14  1  0.25001511  0.25000000  0.62500825  1.0
  Ru  Ru15  1  0.75002253  0.75000000  0.87857509  1.0