# generated using pymatgen
data_Hf3BeAs2Ru3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.55341201
_cell_length_b   7.55341241
_cell_length_c   7.55341263
_cell_angle_alpha   127.88278220
_cell_angle_beta   122.89056776
_cell_angle_gamma   80.96230935
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3BeAs2Ru3
_chemical_formula_sum   'Hf6 Be2 As4 Ru6'
_cell_volume   275.31797338
_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  0.44724828  0.64780744  0.70055916  1.0
  Hf  Hf1  1  0.55275172  0.25331088  0.20055916  1.0
  Hf  Hf2  1  0.74994832  0.85933615  0.60938783  1.0
  Hf  Hf3  1  0.25005168  0.85944052  0.10938783  1.0
  Hf  Hf4  1  0.05312743  0.25334847  0.70022104  1.0
  Hf  Hf5  1  0.94687257  0.64709362  0.20022104  1.0
  Be  Be6  1  0.25047628  0.25381359  0.50333831  1.0
  Be  Be7  1  0.74952372  0.25286102  0.00333831  1.0
  As  As8  1  0.33325752  0.58656149  0.25314470  1.0
  As  As9  1  0.66674248  0.91988718  0.25330398  1.0
  As  As10  1  0.16658320  0.91988718  0.75314470  1.0
  As  As11  1  0.83341680  0.58656149  0.75330398  1.0
  Ru  Ru12  1  0.50000000  0.49246573  0.99246573  1.0
  Ru  Ru13  1  0.00000000  0.49246573  0.49246573  1.0
  Ru  Ru14  1  0.11907519  0.25323025  0.13322519  1.0
  Ru  Ru15  1  0.88092481  0.01414900  0.13415406  1.0
  Ru  Ru16  1  0.37999494  0.01414900  0.63322519  1.0
  Ru  Ru17  1  0.62000506  0.25323025  0.63415406  1.0