# generated using pymatgen
data_HfSc3(NiP)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.63553343
_cell_length_b   9.95983364
_cell_length_c   12.18332056
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSc3(NiP)6
_chemical_formula_sum   'Hf2 Sc6 Ni12 P12'
_cell_volume   441.14960809
_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
  Hf  Hf0  1  0.25000000  0.33887849  0.99735241  1.0
  Hf  Hf1  1  0.25000000  0.16112151  0.49735241  1.0
  Sc  Sc2  1  0.75000000  0.65910409  0.00286970  1.0
  Sc  Sc3  1  0.75000000  0.84089591  0.50286970  1.0
  Sc  Sc4  1  0.25000000  0.42761393  0.71201673  1.0
  Sc  Sc5  1  0.25000000  0.07238607  0.21201673  1.0
  Sc  Sc6  1  0.75000000  0.57197687  0.28808057  1.0
  Sc  Sc7  1  0.75000000  0.92802313  0.78808057  1.0
  Ni  Ni8  1  0.25000000  0.90669231  0.98170641  1.0
  Ni  Ni9  1  0.25000000  0.59330769  0.48170641  1.0
  Ni  Ni10  1  0.75000000  0.09463755  0.01874381  1.0
  Ni  Ni11  1  0.75000000  0.40536245  0.51874381  1.0
  Ni  Ni12  1  0.25000000  0.13495129  0.71828892  1.0
  Ni  Ni13  1  0.25000000  0.36504871  0.21828892  1.0
  Ni  Ni14  1  0.75000000  0.86585539  0.28181311  1.0
  Ni  Ni15  1  0.75000000  0.63414461  0.78181311  1.0
  Ni  Ni16  1  0.25000000  0.77463572  0.16489890  1.0
  Ni  Ni17  1  0.25000000  0.72536428  0.66489890  1.0
  Ni  Ni18  1  0.75000000  0.22644207  0.83504614  1.0
  Ni  Ni19  1  0.75000000  0.27355793  0.33504614  1.0
  P  P20  1  0.25000000  0.10323019  0.89807041  1.0
  P  P21  1  0.25000000  0.39676981  0.39807041  1.0
  P  P22  1  0.75000000  0.89686858  0.10211940  1.0
  P  P23  1  0.75000000  0.60313142  0.60211940  1.0
  P  P24  1  0.25000000  0.73774727  0.85343785  1.0
  P  P25  1  0.25000000  0.76225273  0.35343785  1.0
  P  P26  1  0.75000000  0.26421084  0.14498889  1.0
  P  P27  1  0.75000000  0.23578916  0.64498889  1.0
  P  P28  1  0.25000000  0.55485020  0.12602687  1.0
  P  P29  1  0.25000000  0.94514980  0.62602687  1.0
  P  P30  1  0.75000000  0.44429314  0.87453789  1.0
  P  P31  1  0.75000000  0.05570686  0.37453789  1.0