# generated using pymatgen
data_Zr3Sc(SiW)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.53381819
_cell_length_b   6.96534406
_cell_length_c   8.20354935
_cell_angle_alpha   90.06622200
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Sc(SiW)4
_chemical_formula_sum   'Zr3 Sc1 Si4 W4'
_cell_volume   201.92415817
_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
  Zr  Zr0  1  0.25000000  0.54176371  0.16707853  1.0
  Zr  Zr1  1  0.25000000  0.04033689  0.33254954  1.0
  Zr  Zr2  1  0.75000000  0.45964155  0.83418530  1.0
  Sc  Sc3  1  0.75000000  0.95938558  0.66544862  1.0
  Si  Si4  1  0.25000000  0.76063326  0.85863228  1.0
  Si  Si5  1  0.25000000  0.25730580  0.64065047  1.0
  Si  Si6  1  0.75000000  0.24240666  0.13871566  1.0
  Si  Si7  1  0.75000000  0.74143105  0.36170903  1.0
  W  W8  1  0.25000000  0.62921932  0.55928018  1.0
  W  W9  1  0.25000000  0.13081768  0.94038831  1.0
  W  W10  1  0.75000000  0.36870541  0.44107761  1.0
  W  W11  1  0.75000000  0.86835211  0.06028347  1.0