# generated using pymatgen
data_ZrScBe4Ru5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17941940
_cell_length_b   8.62465589
_cell_length_c   10.13133836
_cell_angle_alpha   90.25398318
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrScBe4Ru5
_chemical_formula_sum   'Zr2 Sc2 Be8 Ru10'
_cell_volume   277.81273483
_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
  Zr  Zr0  1  0.50000000  0.83907741  0.18140506  1.0
  Zr  Zr1  1  0.50000000  0.16092259  0.81859494  1.0
  Sc  Sc2  1  0.50000000  0.66048596  0.68084836  1.0
  Sc  Sc3  1  0.50000000  0.33951404  0.31915164  1.0
  Be  Be4  1  0.50000000  0.96452163  0.59435004  1.0
  Be  Be5  1  0.50000000  0.03547837  0.40564996  1.0
  Be  Be6  1  0.50000000  0.84020610  0.90483559  1.0
  Be  Be7  1  0.50000000  0.15979390  0.09516441  1.0
  Be  Be8  1  0.50000000  0.65913136  0.40626314  1.0
  Be  Be9  1  0.50000000  0.34086864  0.59373686  1.0
  Be  Be10  1  0.50000000  0.46538747  0.90527119  1.0
  Be  Be11  1  0.50000000  0.53461253  0.09472881  1.0
  Ru  Ru12  1  0.00000000  0.65874874  0.95558289  1.0
  Ru  Ru13  1  0.00000000  0.34125126  0.04441711  1.0
  Ru  Ru14  1  0.00000000  0.84261286  0.45246680  1.0
  Ru  Ru15  1  0.00000000  0.15738714  0.54753320  1.0
  Ru  Ru16  1  0.00000000  0.00000000  0.00000000  1.0
  Ru  Ru17  1  0.00000000  0.40321350  0.75536388  1.0
  Ru  Ru18  1  0.00000000  0.59678650  0.24463612  1.0
  Ru  Ru19  1  0.00000000  0.50000000  0.50000000  1.0
  Ru  Ru20  1  0.00000000  0.90451575  0.74334858  1.0
  Ru  Ru21  1  0.00000000  0.09548425  0.25665142  1.0