# generated using pymatgen
data_HfSc(NiP)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.62532513
_cell_length_b   9.95101791
_cell_length_c   12.17780053
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSc(NiP)3
_chemical_formula_sum   'Hf4 Sc4 Ni12 P12'
_cell_volume   439.32237834
_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
  Hf  Hf0  1  0.25000000  0.16107096  0.49760937  1.0
  Hf  Hf1  1  0.75000000  0.83892904  0.50239063  1.0
  Hf  Hf2  1  0.75000000  0.66107096  0.00239063  1.0
  Hf  Hf3  1  0.25000000  0.33892904  0.99760937  1.0
  Sc  Sc4  1  0.25000000  0.07250601  0.21064397  1.0
  Sc  Sc5  1  0.75000000  0.92749399  0.78935603  1.0
  Sc  Sc6  1  0.75000000  0.57250601  0.28935603  1.0
  Sc  Sc7  1  0.25000000  0.42749399  0.71064397  1.0
  Ni  Ni8  1  0.25000000  0.72644768  0.66421516  1.0
  Ni  Ni9  1  0.75000000  0.27355232  0.33578484  1.0
  Ni  Ni10  1  0.75000000  0.22644768  0.83578484  1.0
  Ni  Ni11  1  0.25000000  0.77355232  0.16421516  1.0
  Ni  Ni12  1  0.25000000  0.36553550  0.21860606  1.0
  Ni  Ni13  1  0.75000000  0.63446450  0.78139394  1.0
  Ni  Ni14  1  0.75000000  0.86553550  0.28139394  1.0
  Ni  Ni15  1  0.25000000  0.13446450  0.71860606  1.0
  Ni  Ni16  1  0.25000000  0.59515217  0.48099173  1.0
  Ni  Ni17  1  0.75000000  0.40484783  0.51900827  1.0
  Ni  Ni18  1  0.75000000  0.09515217  0.01900827  1.0
  Ni  Ni19  1  0.25000000  0.90484783  0.98099173  1.0
  P  P20  1  0.25000000  0.94515575  0.62561344  1.0
  P  P21  1  0.75000000  0.05484425  0.37438656  1.0
  P  P22  1  0.75000000  0.44515575  0.87438656  1.0
  P  P23  1  0.25000000  0.55484425  0.12561344  1.0
  P  P24  1  0.25000000  0.39661775  0.39878427  1.0
  P  P25  1  0.75000000  0.60338225  0.60121573  1.0
  P  P26  1  0.75000000  0.89661775  0.10121573  1.0
  P  P27  1  0.25000000  0.10338225  0.89878427  1.0
  P  P28  1  0.25000000  0.76389015  0.35428571  1.0
  P  P29  1  0.75000000  0.23610985  0.64571429  1.0
  P  P30  1  0.75000000  0.26389015  0.14571429  1.0
  P  P31  1  0.25000000  0.73610985  0.85428571  1.0