# generated using pymatgen
data_Hf4Be3(BRu2)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05939831
_cell_length_b   8.60572915
_cell_length_c   10.06862257
_cell_angle_alpha   89.91748716
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf4Be3(BRu2)5
_chemical_formula_sum   'Hf4 Be3 B5 Ru10'
_cell_volume   265.08997621
_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  0.50000000  0.84374196  0.18364644  1.0
  Hf  Hf1  1  0.50000000  0.15716222  0.81562837  1.0
  Hf  Hf2  1  0.50000000  0.66159977  0.67829621  1.0
  Hf  Hf3  1  0.50000000  0.34150168  0.32105791  1.0
  Be  Be4  1  0.50000000  0.96248918  0.59315296  1.0
  Be  Be5  1  0.50000000  0.03932651  0.40672088  1.0
  Be  Be6  1  0.50000000  0.84539493  0.90177162  1.0
  B  B7  1  0.50000000  0.14653586  0.09919018  1.0
  B  B8  1  0.50000000  0.65217510  0.40121785  1.0
  B  B9  1  0.50000000  0.34888669  0.59853781  1.0
  B  B10  1  0.50000000  0.46518184  0.91145485  1.0
  B  B11  1  0.50000000  0.53306754  0.08950647  1.0
  Ru  Ru12  1  0.00000000  0.64780735  0.95853999  1.0
  Ru  Ru13  1  0.00000000  0.33966178  0.04682823  1.0
  Ru  Ru14  1  0.00000000  0.82764459  0.44296335  1.0
  Ru  Ru15  1  0.00000000  0.17481441  0.55316290  1.0
  Ru  Ru16  1  0.00000000  0.00666737  0.00134723  1.0
  Ru  Ru17  1  0.00000000  0.40841706  0.76208961  1.0
  Ru  Ru18  1  0.00000000  0.59197074  0.23820113  1.0
  Ru  Ru19  1  0.00000000  0.50105909  0.50016026  1.0
  Ru  Ru20  1  0.00000000  0.90225958  0.74186069  1.0
  Ru  Ru21  1  0.00000000  0.10263575  0.25466105  1.0