# generated using pymatgen
data_Nd3Y5(HgIr)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.69646568
_cell_length_b   9.69646605
_cell_length_c   9.69646580
_cell_angle_alpha   59.99999750
_cell_angle_beta   59.99999624
_cell_angle_gamma   60.00000070
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd3Y5(HgIr)2
_chemical_formula_sum   'Nd6 Y10 Hg4 Ir4'
_cell_volume   644.65209685
_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
  Nd  Nd0  1  0.94153956  0.55846044  0.55846044  1.0
  Nd  Nd1  1  0.55846044  0.94153956  0.94153956  1.0
  Nd  Nd2  1  0.55846044  0.94153956  0.55846044  1.0
  Nd  Nd3  1  0.94153956  0.55846044  0.94153956  1.0
  Nd  Nd4  1  0.55846044  0.55846044  0.94153956  1.0
  Nd  Nd5  1  0.94153956  0.94153956  0.55846044  1.0
  Y  Y6  1  0.34992736  0.34992736  0.34992736  1.0
  Y  Y7  1  0.34992736  0.34992736  0.95021791  1.0
  Y  Y8  1  0.34992736  0.95021791  0.34992736  1.0
  Y  Y9  1  0.95021791  0.34992736  0.34992736  1.0
  Y  Y10  1  0.80998166  0.19001834  0.19001834  1.0
  Y  Y11  1  0.19001834  0.80998166  0.80998166  1.0
  Y  Y12  1  0.19001834  0.80998166  0.19001834  1.0
  Y  Y13  1  0.80998166  0.19001834  0.80998166  1.0
  Y  Y14  1  0.19001834  0.19001834  0.80998166  1.0
  Y  Y15  1  0.80998166  0.80998166  0.19001834  1.0
  Hg  Hg16  1  0.58259755  0.58259755  0.58259755  1.0
  Hg  Hg17  1  0.58259755  0.58259755  0.25220535  1.0
  Hg  Hg18  1  0.58259755  0.25220535  0.58259755  1.0
  Hg  Hg19  1  0.25220535  0.58259755  0.58259755  1.0
  Ir  Ir20  1  0.14114854  0.14114854  0.14114854  1.0
  Ir  Ir21  1  0.14114854  0.14114854  0.57655439  1.0
  Ir  Ir22  1  0.14114854  0.57655439  0.14114854  1.0
  Ir  Ir23  1  0.57655439  0.14114854  0.14114854  1.0