# generated using pymatgen
data_HfScP7Ru12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.29180348
_cell_length_b   9.29180320
_cell_length_c   3.88457581
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999406
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfScP7Ru12
_chemical_formula_sum   'Hf1 Sc1 P7 Ru12'
_cell_volume   290.45193734
_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
  Hf  Hf0  1  0.66666700  0.33333300  0.50000000  1.0
  Sc  Sc1  1  0.33333300  0.66666700  0.00000000  1.0
  P  P2  1  0.59629271  0.71952559  0.50000000  1.0
  P  P3  1  0.00000000  0.00000000  0.00000000  1.0
  P  P4  1  0.28047441  0.87676812  0.50000000  1.0
  P  P5  1  0.12323188  0.40370729  0.50000000  1.0
  P  P6  1  0.88434577  0.57335191  0.00000000  1.0
  P  P7  1  0.42664809  0.31099387  0.00000000  1.0
  P  P8  1  0.68900613  0.11565423  0.00000000  1.0
  Ru  Ru9  1  0.55394052  0.94983822  0.50000000  1.0
  Ru  Ru10  1  0.39589870  0.44605948  0.50000000  1.0
  Ru  Ru11  1  0.91462884  0.12372835  0.50000000  1.0
  Ru  Ru12  1  0.20909951  0.08537116  0.50000000  1.0
  Ru  Ru13  1  0.87627165  0.79090049  0.50000000  1.0
  Ru  Ru14  1  0.72539886  0.88974106  0.00000000  1.0
  Ru  Ru15  1  0.11025894  0.83565579  0.00000000  1.0
  Ru  Ru16  1  0.16434421  0.27460114  0.00000000  1.0
  Ru  Ru17  1  0.42943431  0.07357274  0.00000000  1.0
  Ru  Ru18  1  0.92642726  0.35586257  0.00000000  1.0
  Ru  Ru19  1  0.64413743  0.57056569  0.00000000  1.0
  Ru  Ru20  1  0.05016178  0.60410130  0.50000000  1.0