# generated using pymatgen
data_Nd3ThHgIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.92934266
_cell_length_b   9.92934226
_cell_length_c   9.92934308
_cell_angle_alpha   60.00000387
_cell_angle_beta   60.00000520
_cell_angle_gamma   60.00000594
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd3ThHgIr
_chemical_formula_sum   'Nd12 Th4 Hg4 Ir4'
_cell_volume   692.22383246
_cell_formula_units_Z   4
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  0.05859739  0.44140261  0.44140261  1.0
  Nd  Nd1  1  0.44140261  0.05859739  0.05859739  1.0
  Nd  Nd2  1  0.44140261  0.05859739  0.44140261  1.0
  Nd  Nd3  1  0.05859739  0.44140261  0.05859739  1.0
  Nd  Nd4  1  0.44140261  0.44140261  0.05859739  1.0
  Nd  Nd5  1  0.05859739  0.05859739  0.44140261  1.0
  Nd  Nd6  1  0.18846476  0.81153524  0.81153524  1.0
  Nd  Nd7  1  0.81153524  0.18846476  0.18846476  1.0
  Nd  Nd8  1  0.81153524  0.18846476  0.81153524  1.0
  Nd  Nd9  1  0.18846476  0.81153524  0.18846476  1.0
  Nd  Nd10  1  0.81153524  0.81153524  0.18846476  1.0
  Nd  Nd11  1  0.18846476  0.18846476  0.81153524  1.0
  Th  Th12  1  0.59814053  0.59814053  0.59814053  1.0
  Th  Th13  1  0.59814053  0.59814053  0.20557842  1.0
  Th  Th14  1  0.59814053  0.20557842  0.59814053  1.0
  Th  Th15  1  0.20557842  0.59814053  0.59814053  1.0
  Hg  Hg16  1  0.83497560  0.83497560  0.83497560  1.0
  Hg  Hg17  1  0.83497560  0.83497560  0.49507320  1.0
  Hg  Hg18  1  0.83497560  0.49507320  0.83497560  1.0
  Hg  Hg19  1  0.49507320  0.83497560  0.83497560  1.0
  Ir  Ir20  1  0.39529277  0.39529277  0.39529277  1.0
  Ir  Ir21  1  0.39529277  0.39529277  0.81412269  1.0
  Ir  Ir22  1  0.39529277  0.81412269  0.39529277  1.0
  Ir  Ir23  1  0.81412269  0.39529277  0.39529277  1.0