# generated using pymatgen
data_Nd3Ho5(HgIr)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.62669460
_cell_length_b   9.62669530
_cell_length_c   9.62669379
_cell_angle_alpha   59.99999844
_cell_angle_beta   59.99999604
_cell_angle_gamma   60.00000170
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd3Ho5(HgIr)2
_chemical_formula_sum   'Nd6 Ho10 Hg4 Ir4'
_cell_volume   630.83614260
_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  0.94238940  0.55761060  0.55761060  1.0
  Nd  Nd1  1  0.55761060  0.94238940  0.94238940  1.0
  Nd  Nd2  1  0.55761060  0.94238940  0.55761060  1.0
  Nd  Nd3  1  0.94238940  0.55761060  0.94238940  1.0
  Nd  Nd4  1  0.55761060  0.55761060  0.94238940  1.0
  Nd  Nd5  1  0.94238940  0.94238940  0.55761060  1.0
  Ho  Ho6  1  0.34953086  0.34953086  0.34953086  1.0
  Ho  Ho7  1  0.34953086  0.34953086  0.95140641  1.0
  Ho  Ho8  1  0.34953086  0.95140641  0.34953086  1.0
  Ho  Ho9  1  0.95140641  0.34953086  0.34953086  1.0
  Ho  Ho10  1  0.81090392  0.18909608  0.18909608  1.0
  Ho  Ho11  1  0.18909608  0.81090392  0.81090392  1.0
  Ho  Ho12  1  0.18909608  0.81090392  0.18909608  1.0
  Ho  Ho13  1  0.81090392  0.18909608  0.81090392  1.0
  Ho  Ho14  1  0.18909608  0.18909608  0.81090392  1.0
  Ho  Ho15  1  0.81090392  0.81090392  0.18909608  1.0
  Hg  Hg16  1  0.58229209  0.58229209  0.58229209  1.0
  Hg  Hg17  1  0.58229209  0.58229209  0.25312273  1.0
  Hg  Hg18  1  0.58229209  0.25312273  0.58229209  1.0
  Hg  Hg19  1  0.25312273  0.58229209  0.58229209  1.0
  Ir  Ir20  1  0.14113644  0.14113644  0.14113644  1.0
  Ir  Ir21  1  0.14113644  0.14113644  0.57658968  1.0
  Ir  Ir22  1  0.14113644  0.57658968  0.14113644  1.0
  Ir  Ir23  1  0.57658968  0.14113644  0.14113644  1.0