# generated using pymatgen
data_Hf16ReNi4Ru3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.56730914
_cell_length_b   8.56730951
_cell_length_c   8.56730932
_cell_angle_alpha   59.96764921
_cell_angle_beta   59.96764609
_cell_angle_gamma   59.96764762
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf16ReNi4Ru3
_chemical_formula_sum   'Hf16 Re1 Ni4 Ru3'
_cell_volume   444.32382766
_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  0.68438637  0.10509202  0.10509202  1.0
  Hf  Hf1  1  0.10509202  0.68438637  0.10509202  1.0
  Hf  Hf2  1  0.10509202  0.10509202  0.68438637  1.0
  Hf  Hf3  1  0.10735982  0.10735982  0.10735982  1.0
  Hf  Hf4  1  0.31465417  0.31465417  0.68232382  1.0
  Hf  Hf5  1  0.68465340  0.68465340  0.31486162  1.0
  Hf  Hf6  1  0.31465417  0.68232382  0.31465417  1.0
  Hf  Hf7  1  0.68465340  0.31486162  0.68465340  1.0
  Hf  Hf8  1  0.68232382  0.31465417  0.31465417  1.0
  Hf  Hf9  1  0.31486162  0.68465340  0.68465340  1.0
  Hf  Hf10  1  0.95075624  0.95075624  0.54910826  1.0
  Hf  Hf11  1  0.54874973  0.54874973  0.95238414  1.0
  Hf  Hf12  1  0.95075624  0.54910826  0.95075624  1.0
  Hf  Hf13  1  0.54874973  0.95238414  0.54874973  1.0
  Hf  Hf14  1  0.54910826  0.95075624  0.95075624  1.0
  Hf  Hf15  1  0.95238414  0.54874973  0.54874973  1.0
  Re  Re16  1  0.33341336  0.33341336  0.33341336  1.0
  Ni  Ni17  1  0.32026591  0.89424121  0.89424121  1.0
  Ni  Ni18  1  0.89424121  0.32026591  0.89424121  1.0
  Ni  Ni19  1  0.89424121  0.89424121  0.32026591  1.0
  Ni  Ni20  1  0.89236812  0.89236812  0.89236812  1.0
  Ru  Ru21  1  0.99647205  0.33537799  0.33537799  1.0
  Ru  Ru22  1  0.33537799  0.99647205  0.33537799  1.0
  Ru  Ru23  1  0.33537799  0.33537799  0.99647205  1.0