# generated using pymatgen
data_Lu3Si3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.15839696
_cell_length_b   10.39334511
_cell_length_c   11.97784170
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu3Si3Ir
_chemical_formula_sum   'Lu12 Si12 Ir4'
_cell_volume   517.67818235
_cell_formula_units_Z   4
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  0.25000000  0.87983584  0.02035275  1.0
  Lu  Lu1  1  0.25000000  0.62016416  0.52035275  1.0
  Lu  Lu2  1  0.75000000  0.12016416  0.97964725  1.0
  Lu  Lu3  1  0.75000000  0.37983584  0.47964725  1.0
  Lu  Lu4  1  0.25000000  0.91916568  0.60283600  1.0
  Lu  Lu5  1  0.25000000  0.58083432  0.10283600  1.0
  Lu  Lu6  1  0.75000000  0.08083432  0.39716400  1.0
  Lu  Lu7  1  0.75000000  0.41916568  0.89716400  1.0
  Lu  Lu8  1  0.25000000  0.65942877  0.80027066  1.0
  Lu  Lu9  1  0.25000000  0.84057123  0.30027066  1.0
  Lu  Lu10  1  0.75000000  0.34057123  0.19972934  1.0
  Lu  Lu11  1  0.75000000  0.15942877  0.69972934  1.0
  Si  Si12  1  0.25000000  0.01196495  0.82115469  1.0
  Si  Si13  1  0.25000000  0.48803505  0.32115469  1.0
  Si  Si14  1  0.75000000  0.98803505  0.17884531  1.0
  Si  Si15  1  0.75000000  0.51196495  0.67884531  1.0
  Si  Si16  1  0.25000000  0.24746703  0.84119052  1.0
  Si  Si17  1  0.25000000  0.25253297  0.34119052  1.0
  Si  Si18  1  0.75000000  0.75253297  0.15880948  1.0
  Si  Si19  1  0.75000000  0.74746703  0.65880948  1.0
  Si  Si20  1  0.25000000  0.19748796  0.54382688  1.0
  Si  Si21  1  0.25000000  0.30251204  0.04382688  1.0
  Si  Si22  1  0.75000000  0.80251204  0.45617312  1.0
  Si  Si23  1  0.75000000  0.69748796  0.95617312  1.0
  Ir  Ir24  1  0.25000000  0.38968320  0.67881777  1.0
  Ir  Ir25  1  0.25000000  0.11031680  0.17881777  1.0
  Ir  Ir26  1  0.75000000  0.61031680  0.32118223  1.0
  Ir  Ir27  1  0.75000000  0.88968320  0.82118223  1.0