# generated using pymatgen
data_BaNd2(H6Ir)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07091607
_cell_length_b   5.07091655
_cell_length_c   8.90821307
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999685
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNd2(H6Ir)2
_chemical_formula_sum   'Ba1 Nd2 H12 Ir2'
_cell_volume   198.37828327
_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
  Ba  Ba0  1  0.00000000  0.00000000  0.00000000  1.0
  Nd  Nd1  1  0.66666700  0.33333300  0.36764966  1.0
  Nd  Nd2  1  0.33333300  0.66666700  0.63235034  1.0
  H  H3  1  0.17667383  0.82332617  0.37549930  1.0
  H  H4  1  0.64665234  0.82332617  0.37549930  1.0
  H  H5  1  0.17667383  0.35334766  0.37549930  1.0
  H  H6  1  0.82332617  0.17667383  0.62450070  1.0
  H  H7  1  0.35334766  0.17667383  0.62450070  1.0
  H  H8  1  0.82332617  0.64665234  0.62450070  1.0
  H  H9  1  0.51047910  0.02095819  0.84886596  1.0
  H  H10  1  0.51047910  0.48952090  0.84886596  1.0
  H  H11  1  0.97904181  0.48952090  0.84886596  1.0
  H  H12  1  0.48952090  0.97904181  0.15113404  1.0
  H  H13  1  0.48952090  0.51047910  0.15113404  1.0
  H  H14  1  0.02095819  0.51047910  0.15113404  1.0
  Ir  Ir15  1  0.66666700  0.33333300  0.73873014  1.0
  Ir  Ir16  1  0.33333300  0.66666700  0.26126986  1.0