# generated using pymatgen
data_Zr4Sc4IrRu7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45701355
_cell_length_b   4.56937061
_cell_length_c   9.14086654
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.99989745
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr4Sc4IrRu7
_chemical_formula_sum   'Zr4 Sc4 Ir1 Ru7'
_cell_volume   269.69658630
_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  0.75357692  0.25000000  0.12500689  1.0
  Zr  Zr1  1  0.24810406  0.75000000  0.37707206  1.0
  Zr  Zr2  1  0.75014772  0.25000000  0.62501538  1.0
  Zr  Zr3  1  0.24827402  0.75000000  0.87289463  1.0
  Sc  Sc4  1  0.24900296  0.25000000  0.12498432  1.0
  Sc  Sc5  1  0.75033687  0.75000000  0.37641209  1.0
  Sc  Sc6  1  0.25012152  0.25000000  0.62499264  1.0
  Sc  Sc7  1  0.75052830  0.75000000  0.87359905  1.0
  Ir  Ir8  1  0.50005191  0.75000000  0.12498366  1.0
  Ru  Ru9  1  0.00037400  0.75000000  0.12499231  1.0
  Ru  Ru10  1  0.49991925  0.25000000  0.37428031  1.0
  Ru  Ru11  1  0.99991386  0.25000000  0.37454568  1.0
  Ru  Ru12  1  0.99961466  0.75000000  0.62499596  1.0
  Ru  Ru13  1  0.49991911  0.75000000  0.62500297  1.0
  Ru  Ru14  1  0.00005738  0.25000000  0.87546936  1.0
  Ru  Ru15  1  0.50005245  0.25000000  0.87575171  1.0