# generated using pymatgen
data_KNd2(H6Ir)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11078836
_cell_length_b   5.11078935
_cell_length_c   8.99736227
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999994
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNd2(H6Ir)2
_chemical_formula_sum   'K1 Nd2 H12 Ir2'
_cell_volume   203.52685322
_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
  K  K0  1  0.00000000  0.00000000  0.00000000  1.0
  Nd  Nd1  1  0.66666700  0.33333300  0.36332911  1.0
  Nd  Nd2  1  0.33333300  0.66666700  0.63667089  1.0
  H  H3  1  0.17503612  0.82496388  0.38335018  1.0
  H  H4  1  0.64992775  0.82496388  0.38335018  1.0
  H  H5  1  0.17503612  0.35007225  0.38335018  1.0
  H  H6  1  0.82496388  0.17503612  0.61664982  1.0
  H  H7  1  0.35007225  0.17503612  0.61664982  1.0
  H  H8  1  0.82496388  0.64992775  0.61664982  1.0
  H  H9  1  0.51791211  0.03582322  0.83782185  1.0
  H  H10  1  0.51791211  0.48208789  0.83782185  1.0
  H  H11  1  0.96417678  0.48208789  0.83782185  1.0
  H  H12  1  0.48208789  0.96417678  0.16217815  1.0
  H  H13  1  0.48208789  0.51791211  0.16217815  1.0
  H  H14  1  0.03582322  0.51791211  0.16217815  1.0
  Ir  Ir15  1  0.66666700  0.33333300  0.72392568  1.0
  Ir  Ir16  1  0.33333300  0.66666700  0.27607432  1.0