# generated using pymatgen
data_LaNi6(BIr)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29384437
_cell_length_b   6.29384474
_cell_length_c   6.29384593
_cell_angle_alpha   103.53032839
_cell_angle_beta   103.53033204
_cell_angle_gamma   103.53031524
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNi6(BIr)6
_chemical_formula_sum   'La1 Ni6 B6 Ir6'
_cell_volume   224.40766651
_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
  La  La0  1  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni1  1  0.54248844  0.79683539  0.54248844  1.0
  Ni  Ni2  1  0.54248844  0.54248844  0.79683539  1.0
  Ni  Ni3  1  0.79683539  0.54248844  0.54248844  1.0
  Ni  Ni4  1  0.45751156  0.20316461  0.45751156  1.0
  Ni  Ni5  1  0.45751156  0.45751156  0.20316461  1.0
  Ni  Ni6  1  0.20316461  0.45751156  0.45751156  1.0
  B  B7  1  0.76977731  0.35230050  0.76977731  1.0
  B  B8  1  0.76977731  0.76977731  0.35230050  1.0
  B  B9  1  0.35230050  0.76977731  0.76977731  1.0
  B  B10  1  0.23022269  0.64769950  0.23022269  1.0
  B  B11  1  0.23022269  0.23022269  0.64769950  1.0
  B  B12  1  0.64769950  0.23022269  0.23022269  1.0
  Ir  Ir13  1  0.13878187  0.86121813  0.50000000  1.0
  Ir  Ir14  1  0.50000000  0.13878187  0.86121813  1.0
  Ir  Ir15  1  0.86121813  0.50000000  0.13878187  1.0
  Ir  Ir16  1  0.50000000  0.86121813  0.13878187  1.0
  Ir  Ir17  1  0.13878187  0.50000000  0.86121813  1.0
  Ir  Ir18  1  0.86121813  0.13878187  0.50000000  1.0