# generated using pymatgen
data_NdNi6(BIr)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.27941476
_cell_length_b   6.27941389
_cell_length_c   6.27941496
_cell_angle_alpha   103.51318740
_cell_angle_beta   103.51318840
_cell_angle_gamma   103.51316657
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdNi6(BIr)6
_chemical_formula_sum   'Nd1 Ni6 B6 Ir6'
_cell_volume   222.93689540
_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  0.00000000  1.0
  Ni  Ni1  1  0.54394683  0.79801644  0.54394683  1.0
  Ni  Ni2  1  0.54394683  0.54394683  0.79801644  1.0
  Ni  Ni3  1  0.79801644  0.54394683  0.54394683  1.0
  Ni  Ni4  1  0.45605317  0.20198356  0.45605317  1.0
  Ni  Ni5  1  0.45605317  0.45605317  0.20198356  1.0
  Ni  Ni6  1  0.20198356  0.45605317  0.45605317  1.0
  B  B7  1  0.76901244  0.35025726  0.76901244  1.0
  B  B8  1  0.76901244  0.76901244  0.35025726  1.0
  B  B9  1  0.35025726  0.76901244  0.76901244  1.0
  B  B10  1  0.23098756  0.64974274  0.23098756  1.0
  B  B11  1  0.23098756  0.23098756  0.64974274  1.0
  B  B12  1  0.64974274  0.23098756  0.23098756  1.0
  Ir  Ir13  1  0.13852304  0.86147696  0.50000000  1.0
  Ir  Ir14  1  0.50000000  0.13852304  0.86147696  1.0
  Ir  Ir15  1  0.86147696  0.50000000  0.13852304  1.0
  Ir  Ir16  1  0.50000000  0.86147696  0.13852304  1.0
  Ir  Ir17  1  0.13852304  0.50000000  0.86147696  1.0
  Ir  Ir18  1  0.86147696  0.13852304  0.50000000  1.0