# generated using pymatgen
data_ZrSc(SiW)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.52483544
_cell_length_b   6.98545840
_cell_length_c   8.20442347
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSc(SiW)2
_chemical_formula_sum   'Zr2 Sc2 Si4 W4'
_cell_volume   202.01416624
_cell_formula_units_Z   2
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  0.75000000  0.45798408  0.83293299  1.0
  Zr  Zr1  1  0.75000000  0.95798408  0.66706701  1.0
  Sc  Sc2  1  0.25000000  0.54131705  0.16438798  1.0
  Sc  Sc3  1  0.25000000  0.04131705  0.33561202  1.0
  Si  Si4  1  0.25000000  0.75714060  0.86224468  1.0
  Si  Si5  1  0.25000000  0.25714060  0.63775532  1.0
  Si  Si6  1  0.75000000  0.24096494  0.14211558  1.0
  Si  Si7  1  0.75000000  0.74096494  0.35788442  1.0
  W  W8  1  0.25000000  0.63044143  0.55888708  1.0
  W  W9  1  0.25000000  0.13044143  0.94111292  1.0
  W  W10  1  0.75000000  0.37215189  0.44173613  1.0
  W  W11  1  0.75000000  0.87215189  0.05826387  1.0