# generated using pymatgen
data_LuHf3Si4W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.97651385
_cell_length_b   6.97651385
_cell_length_c   12.76149254
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuHf3Si4W
_chemical_formula_sum   'Lu4 Hf12 Si16 W4'
_cell_volume   621.12411707
_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  0.49689971  0.15674842  0.53262398  1.0
  Lu  Lu1  1  0.50310029  0.84325158  0.03262398  1.0
  Lu  Lu2  1  0.65674842  0.00310029  0.28262398  1.0
  Lu  Lu3  1  0.34325158  0.99689971  0.78262398  1.0
  Hf  Hf4  1  0.84634618  0.49869233  0.96803245  1.0
  Hf  Hf5  1  0.15365382  0.50130767  0.46803245  1.0
  Hf  Hf6  1  0.99869233  0.65365382  0.71803245  1.0
  Hf  Hf7  1  0.00130767  0.34634618  0.21803245  1.0
  Hf  Hf8  1  0.49311565  0.35609934  0.12578130  1.0
  Hf  Hf9  1  0.50688435  0.64390066  0.62578130  1.0
  Hf  Hf10  1  0.85609934  0.00688435  0.87578130  1.0
  Hf  Hf11  1  0.14390066  0.99311565  0.37578130  1.0
  Hf  Hf12  1  0.64506638  0.50276890  0.37404121  1.0
  Hf  Hf13  1  0.35493362  0.49723110  0.87404121  1.0
  Hf  Hf14  1  0.00276890  0.85493362  0.12404121  1.0
  Hf  Hf15  1  0.99723110  0.14506638  0.62404121  1.0
  Si  Si16  1  0.80040808  0.15037203  0.07024078  1.0
  Si  Si17  1  0.19959192  0.84962797  0.57024078  1.0
  Si  Si18  1  0.65037203  0.69959192  0.82024078  1.0
  Si  Si19  1  0.34962797  0.30040808  0.32024078  1.0
  Si  Si20  1  0.86034223  0.20824752  0.42935702  1.0
  Si  Si21  1  0.13965777  0.79175248  0.92935702  1.0
  Si  Si22  1  0.70824752  0.63965777  0.17935702  1.0
  Si  Si23  1  0.29175248  0.36034223  0.67935702  1.0
  Si  Si24  1  0.55059562  0.20288175  0.93396238  1.0
  Si  Si25  1  0.44940438  0.79711825  0.43396238  1.0
  Si  Si26  1  0.70288175  0.94940438  0.68396238  1.0
  Si  Si27  1  0.29711825  0.05059562  0.18396238  1.0
  Si  Si28  1  0.80363907  0.45250030  0.56581203  1.0
  Si  Si29  1  0.19636093  0.54749970  0.06581203  1.0
  Si  Si30  1  0.95250030  0.69636093  0.31581203  1.0
  Si  Si31  1  0.04749970  0.30363907  0.81581203  1.0
  W  W32  1  0.67981624  0.32854034  0.75014785  1.0
  W  W33  1  0.32018376  0.67145966  0.25014785  1.0
  W  W34  1  0.82854034  0.82018376  0.50014785  1.0
  W  W35  1  0.17145966  0.17981624  0.00014785  1.0