# generated using pymatgen
data_NdTh2(MgIr)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.34782652
_cell_length_b   7.49225885
_cell_length_c   4.10093197
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.36431819
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdTh2(MgIr)3
_chemical_formula_sum   'Nd1 Th2 Mg3 Ir3'
_cell_volume   196.75748882
_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  0.41215733  0.00000000  0.50000000  1.0
  Th  Th1  1  0.99979055  0.41353875  0.50000000  1.0
  Th  Th2  1  0.58625181  0.58646125  0.50000000  1.0
  Mg  Mg3  1  0.00525052  0.77003887  0.00000000  1.0
  Mg  Mg4  1  0.23521264  0.22996113  0.00000000  1.0
  Mg  Mg5  1  0.75219910  0.00000000  0.00000000  1.0
  Ir  Ir6  1  0.33276430  0.64650296  0.00000000  1.0
  Ir  Ir7  1  0.68626334  0.35349704  0.00000000  1.0
  Ir  Ir8  1  0.99011142  0.00000000  0.50000000  1.0