# generated using pymatgen
data_NdThB2Ir5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.10577038
_cell_length_b   11.10577070
_cell_length_c   11.10577232
_cell_angle_alpha   28.77198442
_cell_angle_beta   28.77198206
_cell_angle_gamma   28.77198585
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdThB2Ir5
_chemical_formula_sum   'Nd2 Th2 B4 Ir10'
_cell_volume   280.59159794
_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  0.84766160  0.84766160  0.84766160  1.0
  Nd  Nd1  1  0.05033190  0.05033190  0.05033190  1.0
  Th  Th2  1  0.15199696  0.15199696  0.15199696  1.0
  Th  Th3  1  0.94941545  0.94941545  0.94941545  1.0
  B  B4  1  0.61808229  0.61808229  0.61808229  1.0
  B  B5  1  0.71673958  0.71673958  0.71673958  1.0
  B  B6  1  0.38235318  0.38235318  0.38235318  1.0
  B  B7  1  0.28349101  0.28349101  0.28349101  1.0
  Ir  Ir8  1  0.40751149  0.89809856  0.40751149  1.0
  Ir  Ir9  1  0.89809856  0.40751149  0.40751149  1.0
  Ir  Ir10  1  0.49996827  0.49996827  0.00014769  1.0
  Ir  Ir11  1  0.49996827  0.00014769  0.49996827  1.0
  Ir  Ir12  1  0.00014769  0.49996827  0.49996827  1.0
  Ir  Ir13  1  0.50004103  0.50004103  0.50004103  1.0
  Ir  Ir14  1  0.59264159  0.10139505  0.59264159  1.0
  Ir  Ir15  1  0.59264159  0.59264159  0.10139505  1.0
  Ir  Ir16  1  0.10139505  0.59264159  0.59264159  1.0
  Ir  Ir17  1  0.40751149  0.40751149  0.89809856  1.0