# generated using pymatgen
data_Er16Sc4(Ir3Ru)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.55924791
_cell_length_b   10.55924791
_cell_length_c   6.25769772
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er16Sc4(Ir3Ru)3
_chemical_formula_sum   'Er16 Sc4 Ir9 Ru3'
_cell_volume   697.71900554
_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
  Er  Er0  1  0.29050660  0.08470155  0.37682264  1.0
  Er  Er1  1  0.29065447  0.91576477  0.87714787  1.0
  Er  Er2  1  0.70934553  0.08423523  0.87714787  1.0
  Er  Er3  1  0.70949340  0.91529845  0.37682264  1.0
  Er  Er4  1  0.58423523  0.79065447  0.87714787  1.0
  Er  Er5  1  0.58470155  0.20949340  0.37682264  1.0
  Er  Er6  1  0.41529845  0.79050660  0.37682264  1.0
  Er  Er7  1  0.41576477  0.20934553  0.87714787  1.0
  Er  Er8  1  0.21131378  0.41462120  0.62523194  1.0
  Er  Er9  1  0.21089537  0.58547497  0.12194343  1.0
  Er  Er10  1  0.78910463  0.41452503  0.12194343  1.0
  Er  Er11  1  0.78868622  0.58537880  0.62523194  1.0
  Er  Er12  1  0.91452503  0.71089537  0.12194343  1.0
  Er  Er13  1  0.91462120  0.28868622  0.62523194  1.0
  Er  Er14  1  0.08537880  0.71131378  0.62523194  1.0
  Er  Er15  1  0.08547497  0.28910463  0.12194343  1.0
  Sc  Sc16  1  0.00000000  0.00000000  0.49829353  1.0
  Sc  Sc17  1  0.00000000  0.00000000  0.99824728  1.0
  Sc  Sc18  1  0.50000000  0.50000000  0.99824728  1.0
  Sc  Sc19  1  0.50000000  0.50000000  0.49829353  1.0
  Ir  Ir20  1  0.85191296  0.14848672  0.24948339  1.0
  Ir  Ir21  1  0.85156250  0.85159724  0.74911700  1.0
  Ir  Ir22  1  0.14843750  0.14840276  0.74911700  1.0
  Ir  Ir23  1  0.14808704  0.85151328  0.24948339  1.0
  Ir  Ir24  1  0.64840276  0.35156250  0.74911700  1.0
  Ir  Ir25  1  0.64848672  0.64808704  0.24948339  1.0
  Ir  Ir26  1  0.35151328  0.35191296  0.24948339  1.0
  Ir  Ir27  1  0.35159724  0.64843750  0.74911700  1.0
  Ir  Ir28  1  0.00000000  0.50000000  0.37735167  1.0
  Ru  Ru29  1  0.50000000  0.00000000  0.12742252  1.0
  Ru  Ru30  1  0.50000000  0.00000000  0.62707297  1.0
  Ru  Ru31  1  0.00000000  0.50000000  0.87608712  1.0