# generated using pymatgen
data_Nd2B6(Ir2Rh)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64961346
_cell_length_b   5.64961530
_cell_length_c   8.58664873
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.95255696
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2B6(Ir2Rh)3
_chemical_formula_sum   'Nd2 B6 Ir6 Rh3'
_cell_volume   237.46486651
_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  0.00000000  0.00000000  0.70441615  1.0
  Nd  Nd1  1  0.00000000  0.00000000  0.29542209  1.0
  B  B2  1  0.66726250  0.33310434  0.99995560  1.0
  B  B3  1  0.33273750  0.66689566  0.99995560  1.0
  B  B4  1  0.66683555  0.33343706  0.66737359  1.0
  B  B5  1  0.33316445  0.66656294  0.66737359  1.0
  B  B6  1  0.33366752  0.66699927  0.33255246  1.0
  B  B7  1  0.66633248  0.33300073  0.33255246  1.0
  Ir  Ir8  1  0.50000000  0.00000000  0.83740824  1.0
  Ir  Ir9  1  0.00000000  0.50000000  0.83815715  1.0
  Ir  Ir10  1  0.50000000  0.00000000  0.16290512  1.0
  Ir  Ir11  1  0.50000000  0.50000000  0.49959026  1.0
  Ir  Ir12  1  0.50000000  0.00000000  0.49990693  1.0
  Ir  Ir13  1  0.00000000  0.50000000  0.49897495  1.0
  Rh  Rh14  1  0.50000000  0.50000000  0.83779123  1.0
  Rh  Rh15  1  0.50000000  0.50000000  0.16240595  1.0
  Rh  Rh16  1  0.00000000  0.50000000  0.16325764  1.0