# generated using pymatgen
data_Nd3ThCdIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.96100053
_cell_length_b   9.96100064
_cell_length_c   9.96100088
_cell_angle_alpha   59.99999920
_cell_angle_beta   59.99999884
_cell_angle_gamma   60.00000148
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd3ThCdIr
_chemical_formula_sum   'Nd12 Th4 Cd4 Ir4'
_cell_volume   698.86599648
_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  0.80889479  0.19110521  0.19110521  1.0
  Nd  Nd1  1  0.19110521  0.80889479  0.80889479  1.0
  Nd  Nd2  1  0.19110521  0.80889479  0.19110521  1.0
  Nd  Nd3  1  0.80889479  0.19110521  0.80889479  1.0
  Nd  Nd4  1  0.19110521  0.19110521  0.80889479  1.0
  Nd  Nd5  1  0.80889479  0.80889479  0.19110521  1.0
  Nd  Nd6  1  0.93839914  0.56160086  0.56160086  1.0
  Nd  Nd7  1  0.56160086  0.93839914  0.93839914  1.0
  Nd  Nd8  1  0.56160086  0.93839914  0.56160086  1.0
  Nd  Nd9  1  0.93839914  0.56160086  0.93839914  1.0
  Nd  Nd10  1  0.56160086  0.56160086  0.93839914  1.0
  Nd  Nd11  1  0.93839914  0.93839914  0.56160086  1.0
  Th  Th12  1  0.34702428  0.34702428  0.34702428  1.0
  Th  Th13  1  0.34702428  0.34702428  0.95892815  1.0
  Th  Th14  1  0.34702428  0.95892815  0.34702428  1.0
  Th  Th15  1  0.95892815  0.34702428  0.34702428  1.0
  Cd  Cd16  1  0.58003291  0.58003291  0.58003291  1.0
  Cd  Cd17  1  0.58003291  0.58003291  0.25989926  1.0
  Cd  Cd18  1  0.58003291  0.25989926  0.58003291  1.0
  Cd  Cd19  1  0.25989926  0.58003291  0.58003291  1.0
  Ir  Ir20  1  0.14537816  0.14537816  0.14537816  1.0
  Ir  Ir21  1  0.14537816  0.14537816  0.56386353  1.0
  Ir  Ir22  1  0.14537816  0.56386353  0.14537816  1.0
  Ir  Ir23  1  0.56386353  0.14537816  0.14537816  1.0