# generated using pymatgen
data_Lu3Ni8Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86102085
_cell_length_b   4.86102102
_cell_length_c   8.65721607
_cell_angle_alpha   73.69504428
_cell_angle_beta   73.69504524
_cell_angle_gamma   60.00000698
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu3Ni8Ir
_chemical_formula_sum   'Lu3 Ni8 Ir1'
_cell_volume   167.59175221
_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
  Lu  Lu0  1  0.13790250  0.13790250  0.58629250  1.0
  Lu  Lu1  1  0.86209750  0.86209750  0.41370750  1.0
  Lu  Lu2  1  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni3  1  0.07628446  0.58125383  0.76120887  1.0
  Ni  Ni4  1  0.58125383  0.58125383  0.76120887  1.0
  Ni  Ni5  1  0.58125383  0.07628446  0.76120887  1.0
  Ni  Ni6  1  0.92371554  0.41874617  0.23879113  1.0
  Ni  Ni7  1  0.41874617  0.41874617  0.23879113  1.0
  Ni  Ni8  1  0.41874617  0.92371554  0.23879113  1.0
  Ni  Ni9  1  0.33367770  0.33367770  0.99896691  1.0
  Ni  Ni10  1  0.66632230  0.66632230  0.00103309  1.0
  Ir  Ir11  1  0.50000000  0.50000000  0.50000000  1.0