# generated using pymatgen
data_Sc4ZnIr2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42674985
_cell_length_b   4.57828529
_cell_length_c   9.19336855
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4ZnIr2Ru
_chemical_formula_sum   'Sc8 Zn2 Ir4 Ru2'
_cell_volume   270.50102711
_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
  Sc  Sc0  1  0.99544568  0.75000000  0.11983356  1.0
  Sc  Sc1  1  0.50448309  0.75000000  0.11985535  1.0
  Sc  Sc2  1  0.00448209  0.25000000  0.38014465  1.0
  Sc  Sc3  1  0.49544668  0.25000000  0.38016544  1.0
  Sc  Sc4  1  0.49729363  0.75000000  0.63000729  1.0
  Sc  Sc5  1  0.00278699  0.75000000  0.62998693  1.0
  Sc  Sc6  1  0.50278599  0.25000000  0.87001307  1.0
  Sc  Sc7  1  0.99729263  0.25000000  0.86999271  1.0
  Zn  Zn8  1  0.24997246  0.25000000  0.12330314  1.0
  Zn  Zn9  1  0.74997146  0.75000000  0.37669586  1.0
  Ir  Ir10  1  0.74999520  0.25000000  0.12715271  1.0
  Ir  Ir11  1  0.24999420  0.75000000  0.37284729  1.0
  Ir  Ir12  1  0.75001395  0.25000000  0.62232869  1.0
  Ir  Ir13  1  0.25001295  0.75000000  0.87767031  1.0
  Ru  Ru14  1  0.25001401  0.25000000  0.62480942  1.0
  Ru  Ru15  1  0.75001301  0.75000000  0.87518958  1.0