# generated using pymatgen
data_HfSc5(PRu)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.46585543
_cell_length_b   7.46486276
_cell_length_c   7.46585560
_cell_angle_alpha   128.06768418
_cell_angle_beta   121.54352044
_cell_angle_gamma   81.97098779
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSc5(PRu)6
_chemical_formula_sum   'Hf1 Sc5 P6 Ru6'
_cell_volume   268.60229282
_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  0.94940734  0.65344945  0.20404211  1.0
  Sc  Sc1  1  0.46420786  0.68402904  0.71982219  1.0
  Sc  Sc2  1  0.53646192  0.25477306  0.21831214  1.0
  Sc  Sc3  1  0.74803672  0.83809751  0.59006078  1.0
  Sc  Sc4  1  0.25189613  0.84025309  0.08835596  1.0
  Sc  Sc5  1  0.05022245  0.25706280  0.70684035  1.0
  P  P6  1  0.26621306  0.27025421  0.50404216  1.0
  P  P7  1  0.73012582  0.22138511  0.99126029  1.0
  P  P8  1  0.33143435  0.58706796  0.25142884  1.0
  P  P9  1  0.66992614  0.92127628  0.25753438  1.0
  P  P10  1  0.16374190  0.92127628  0.75134915  1.0
  P  P11  1  0.83563912  0.58706796  0.75563361  1.0
  Ru  Ru12  1  0.50875176  0.49716187  0.00390602  1.0
  Ru  Ru13  1  0.99325584  0.49716187  0.48841010  1.0
  Ru  Ru14  1  0.10433729  0.25548998  0.11503318  1.0
  Ru  Ru15  1  0.90169163  0.00915328  0.15495540  1.0
  Ru  Ru16  1  0.35419788  0.00915328  0.60746165  1.0
  Ru  Ru17  1  0.64045680  0.25548998  0.65115269  1.0