# generated using pymatgen
data_Nd2NiB8Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.01561630
_cell_length_b   7.01561637
_cell_length_c   7.01561714
_cell_angle_alpha   111.48309248
_cell_angle_beta   113.12411593
_cell_angle_gamma   103.94847105
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2NiB8Ir
_chemical_formula_sum   'Nd4 Ni2 B16 Ir2'
_cell_volume   263.92426580
_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  0.79059126  0.79059126  1.00000000  1.0
  Nd  Nd1  1  0.20940874  0.20940874  0.00000000  1.0
  Nd  Nd2  1  0.75231411  0.25231411  0.50000000  1.0
  Nd  Nd3  1  0.24768589  0.74768589  0.50000000  1.0
  Ni  Ni4  1  0.50000000  0.74221521  0.24221521  1.0
  Ni  Ni5  1  0.50000000  0.25778479  0.75778479  1.0
  B  B6  1  0.27428881  0.10996369  0.38425251  1.0
  B  B7  1  0.72571119  0.89003631  0.61574749  1.0
  B  B8  1  0.27428881  0.89003631  0.16432412  1.0
  B  B9  1  0.72571119  0.10996369  0.83567588  1.0
  B  B10  1  0.11188227  0.72903836  0.84092163  1.0
  B  B11  1  0.88811773  0.27096164  0.15907837  1.0
  B  B12  1  0.11188227  0.27096164  0.38284391  1.0
  B  B13  1  0.88811773  0.72903836  0.61715609  1.0
  B  B14  1  0.11599425  0.11163309  0.52912308  1.0
  B  B15  1  0.58251001  0.58687117  0.47087692  1.0
  B  B16  1  0.11599425  0.58687117  0.00436116  1.0
  B  B17  1  0.58251001  0.11163309  0.99563884  1.0
  B  B18  1  0.88400575  0.88836691  0.47087692  1.0
  B  B19  1  0.41748999  0.41312883  0.52912308  1.0
  B  B20  1  0.88400675  0.41312883  0.99563884  1.0
  B  B21  1  0.41748999  0.88836791  0.00436116  1.0
  Ir  Ir22  1  0.27767718  0.50000000  0.77767718  1.0
  Ir  Ir23  1  0.72232282  0.50000000  0.22232282  1.0