# generated using pymatgen
data_Y20Hg6IrRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.68442206
_cell_length_b   9.68441502
_cell_length_c   9.60664631
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998935
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y20Hg6IrRu
_chemical_formula_sum   'Y20 Hg6 Ir1 Ru1'
_cell_volume   780.27839245
_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
  Y  Y0  1  0.00000000  0.00000000  0.49920364  1.0
  Y  Y1  1  0.00000000  0.00000000  0.00079636  1.0
  Y  Y2  1  0.20879300  0.79120800  0.43911643  1.0
  Y  Y3  1  0.20879200  0.41758500  0.43911643  1.0
  Y  Y4  1  0.58241600  0.79120800  0.43911543  1.0
  Y  Y5  1  0.79077754  0.20922246  0.56147482  1.0
  Y  Y6  1  0.79077754  0.58155408  0.56147382  1.0
  Y  Y7  1  0.41844692  0.20922246  0.56147382  1.0
  Y  Y8  1  0.79077754  0.20922246  0.93852518  1.0
  Y  Y9  1  0.79077754  0.58155408  0.93852618  1.0
  Y  Y10  1  0.41844692  0.20922246  0.93852618  1.0
  Y  Y11  1  0.20879300  0.79120800  0.06088357  1.0
  Y  Y12  1  0.20879200  0.41758500  0.06088357  1.0
  Y  Y13  1  0.58241600  0.79120800  0.06088457  1.0
  Y  Y14  1  0.54094250  0.45905750  0.25000000  1.0
  Y  Y15  1  0.54094250  0.08188601  0.25000000  1.0
  Y  Y16  1  0.91811399  0.45905750  0.25000000  1.0
  Y  Y17  1  0.45877276  0.54122824  0.75000000  1.0
  Y  Y18  1  0.45877276  0.91754451  0.75000000  1.0
  Y  Y19  1  0.08245549  0.54122724  0.75000000  1.0
  Hg  Hg20  1  0.87999163  0.12000837  0.25000000  1.0
  Hg  Hg21  1  0.87999163  0.75998325  0.25000000  1.0
  Hg  Hg22  1  0.24001675  0.12000837  0.25000000  1.0
  Hg  Hg23  1  0.11982834  0.88017166  0.75000000  1.0
  Hg  Hg24  1  0.11982834  0.23965567  0.75000000  1.0
  Hg  Hg25  1  0.76034433  0.88017166  0.75000000  1.0
  Ir  Ir26  1  0.33333300  0.66666700  0.25000000  1.0
  Ru  Ru27  1  0.66666700  0.33333400  0.75000000  1.0