# generated using pymatgen
data_HfScBe17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66320564
_cell_length_b   5.66320583
_cell_length_c   5.66320568
_cell_angle_alpha   97.10563504
_cell_angle_beta   82.89436520
_cell_angle_gamma   97.10564289
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfScBe17
_chemical_formula_sum   'Hf1 Sc1 Be17'
_cell_volume   177.76359517
_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  0.83678405  0.16321695  0.83678405  1.0
  Sc  Sc1  1  0.16248447  0.83751653  0.16248447  1.0
  Be  Be2  1  0.50325426  0.49674774  0.99778845  1.0
  Be  Be3  1  0.65922938  0.84399497  0.15600503  1.0
  Be  Be4  1  0.15600603  0.34077162  0.15600503  1.0
  Be  Be5  1  0.78779945  0.50090470  0.21211758  1.0
  Be  Be6  1  0.49909530  0.21219955  0.21211758  1.0
  Be  Be7  1  0.84333296  0.15666804  0.34000509  1.0
  Be  Be8  1  0.40319255  0.59680845  0.40319255  1.0
  Be  Be9  1  0.50325426  0.00221255  0.50325326  1.0
  Be  Be10  1  0.99778845  0.49674674  0.50325326  1.0
  Be  Be11  1  0.78780045  0.78788242  0.49909530  1.0
  Be  Be12  1  0.21211858  0.21220055  0.49909530  1.0
  Be  Be13  1  0.59730584  0.40269516  0.59730584  1.0
  Be  Be14  1  0.15600503  0.84399597  0.65922938  1.0
  Be  Be15  1  0.49909530  0.78788142  0.78779945  1.0
  Be  Be16  1  0.21211858  0.50090470  0.78779945  1.0
  Be  Be17  1  0.84333396  0.65999591  0.84333296  1.0
  Be  Be18  1  0.34000509  0.15666704  0.84333296  1.0