# generated using pymatgen
data_Hf16Ni5Mo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.60852359
_cell_length_b   8.60852367
_cell_length_c   8.60852417
_cell_angle_alpha   60.05509369
_cell_angle_beta   60.05508417
_cell_angle_gamma   60.05509132
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf16Ni5Mo3
_chemical_formula_sum   'Hf16 Ni5 Mo3'
_cell_volume   451.66139739
_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  0.69055115  0.10346120  0.10346120  1.0
  Hf  Hf1  1  0.10346120  0.69055115  0.10346120  1.0
  Hf  Hf2  1  0.10346120  0.10346120  0.69055115  1.0
  Hf  Hf3  1  0.10323141  0.10323141  0.10323141  1.0
  Hf  Hf4  1  0.31556824  0.31556824  0.68825819  1.0
  Hf  Hf5  1  0.68545035  0.68545035  0.31477539  1.0
  Hf  Hf6  1  0.31556824  0.68825819  0.31556824  1.0
  Hf  Hf7  1  0.68545035  0.31477539  0.68545035  1.0
  Hf  Hf8  1  0.68825819  0.31556824  0.31556824  1.0
  Hf  Hf9  1  0.31477539  0.68545035  0.68545035  1.0
  Hf  Hf10  1  0.95124158  0.95124158  0.54776070  1.0
  Hf  Hf11  1  0.54977559  0.54977559  0.94934535  1.0
  Hf  Hf12  1  0.95124158  0.54776070  0.95124158  1.0
  Hf  Hf13  1  0.54977559  0.94934535  0.54977559  1.0
  Hf  Hf14  1  0.54776070  0.95124158  0.95124158  1.0
  Hf  Hf15  1  0.94934535  0.54977559  0.54977559  1.0
  Ni  Ni16  1  0.32345520  0.89079935  0.89079935  1.0
  Ni  Ni17  1  0.89079935  0.32345520  0.89079935  1.0
  Ni  Ni18  1  0.89079935  0.89079935  0.32345520  1.0
  Ni  Ni19  1  0.89200044  0.89200044  0.89200044  1.0
  Ni  Ni20  1  0.33186961  0.33186961  0.33186961  1.0
  Mo  Mo21  1  0.00056712  0.33279391  0.33279391  1.0
  Mo  Mo22  1  0.33279391  0.00056712  0.33279391  1.0
  Mo  Mo23  1  0.33279391  0.33279391  0.00056712  1.0