# generated using pymatgen
data_Nd16Hg4IrRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.85701120
_cell_length_b   9.85241003
_cell_length_c   9.85241104
_cell_angle_alpha   59.99999996
_cell_angle_beta   60.01544007
_cell_angle_gamma   60.01543829
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd16Hg4IrRu3
_chemical_formula_sum   'Nd16 Hg4 Ir1 Ru3'
_cell_volume   676.73176239
_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
  Nd  Nd0  1  0.34669121  0.34920869  0.34920869  1.0
  Nd  Nd1  1  0.34669121  0.34920869  0.95489142  1.0
  Nd  Nd2  1  0.34669121  0.95489142  0.34920869  1.0
  Nd  Nd3  1  0.95631705  0.34789432  0.34789432  1.0
  Nd  Nd4  1  0.81100076  0.19144466  0.19144466  1.0
  Nd  Nd5  1  0.19193674  0.80876912  0.80876912  1.0
  Nd  Nd6  1  0.19193674  0.80876912  0.19052402  1.0
  Nd  Nd7  1  0.81100076  0.19144466  0.80610793  1.0
  Nd  Nd8  1  0.19193674  0.19052402  0.80876912  1.0
  Nd  Nd9  1  0.81100076  0.80610793  0.19144466  1.0
  Nd  Nd10  1  0.93849685  0.56092297  0.56092297  1.0
  Nd  Nd11  1  0.55990034  0.93965964  0.93965964  1.0
  Nd  Nd12  1  0.55990034  0.93965964  0.56078137  1.0
  Nd  Nd13  1  0.93849685  0.56092297  0.93965721  1.0
  Nd  Nd14  1  0.55990034  0.56078137  0.93965964  1.0
  Nd  Nd15  1  0.93849685  0.93965721  0.56092297  1.0
  Hg  Hg16  1  0.58367036  0.58336603  0.58336603  1.0
  Hg  Hg17  1  0.58367036  0.58336603  0.24959558  1.0
  Hg  Hg18  1  0.58367036  0.24959558  0.58336603  1.0
  Hg  Hg19  1  0.25103983  0.58298639  0.58298639  1.0
  Ir  Ir20  1  0.58005031  0.13998323  0.13998323  1.0
  Ru  Ru21  1  0.13916567  0.13712566  0.13712566  1.0
  Ru  Ru22  1  0.13916567  0.13712566  0.58658000  1.0
  Ru  Ru23  1  0.13916567  0.58658000  0.13712566  1.0