# generated using pymatgen
data_NdNi11B6Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08775162
_cell_length_b   5.98724380
_cell_length_c   6.08775446
_cell_angle_alpha   104.42584009
_cell_angle_beta   104.45957668
_cell_angle_gamma   104.42584238
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdNi11B6Ir
_chemical_formula_sum   'Nd1 Ni11 B6 Ir1'
_cell_volume   196.28682888
_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  0.99673683  0.00000453  0.00326414  1.0
  Ni  Ni1  1  0.19247489  0.45657424  0.45315686  1.0
  Ni  Ni2  1  0.50967936  0.87151665  0.13486201  1.0
  Ni  Ni3  1  0.45662319  0.18330912  0.45735118  1.0
  Ni  Ni4  1  0.54263782  0.81667568  0.54336538  1.0
  Ni  Ni5  1  0.80536659  0.54089013  0.53786248  1.0
  Ni  Ni6  1  0.54682887  0.54344248  0.80751919  1.0
  Ni  Ni7  1  0.49761216  0.13563435  0.86898179  1.0
  Ni  Ni8  1  0.86304551  0.49999801  0.13697443  1.0
  Ni  Ni9  1  0.13102127  0.86435151  0.50238783  1.0
  Ni  Ni10  1  0.46212231  0.45912704  0.19464881  1.0
  Ni  Ni11  1  0.86514931  0.12847531  0.49032188  1.0
  B  B12  1  0.76713608  0.76681733  0.34087080  1.0
  B  B13  1  0.23495017  0.66720051  0.24111187  1.0
  B  B14  1  0.23149765  0.22661326  0.65282558  1.0
  B  B15  1  0.65913205  0.23318533  0.23286326  1.0
  B  B16  1  0.34717350  0.77338893  0.76849906  1.0
  B  B17  1  0.75888932  0.33279623  0.76505265  1.0
  Ir  Ir18  1  0.13192312  0.49999934  0.86808080  1.0