# generated using pymatgen
data_Zr2Be3BRu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14259951
_cell_length_b   8.65069118
_cell_length_c   10.12526183
_cell_angle_alpha   90.25981181
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Be3BRu5
_chemical_formula_sum   'Zr4 Be6 B2 Ru10'
_cell_volume   275.25907413
_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  0.84336710  0.18316294  1.0
  Zr  Zr1  1  0.50000000  0.15663290  0.81683706  1.0
  Zr  Zr2  1  0.50000000  0.65894968  0.67850376  1.0
  Zr  Zr3  1  0.50000000  0.34105032  0.32149624  1.0
  Be  Be4  1  0.50000000  0.96270677  0.59281225  1.0
  Be  Be5  1  0.50000000  0.03729323  0.40718775  1.0
  Be  Be6  1  0.50000000  0.84603235  0.90181941  1.0
  Be  Be7  1  0.50000000  0.15396765  0.09818059  1.0
  Be  Be8  1  0.50000000  0.65609955  0.40288633  1.0
  Be  Be9  1  0.50000000  0.34390045  0.59711367  1.0
  B  B10  1  0.50000000  0.46644188  0.91077619  1.0
  B  B11  1  0.50000000  0.53355812  0.08922381  1.0
  Ru  Ru12  1  0.00000000  0.65171380  0.95646970  1.0
  Ru  Ru13  1  0.00000000  0.34828620  0.04353030  1.0
  Ru  Ru14  1  0.00000000  0.84047073  0.44894273  1.0
  Ru  Ru15  1  0.00000000  0.15952927  0.55105727  1.0
  Ru  Ru16  1  0.00000000  0.00000000  0.00000000  1.0
  Ru  Ru17  1  0.00000000  0.40839321  0.76712695  1.0
  Ru  Ru18  1  0.00000000  0.59160679  0.23287305  1.0
  Ru  Ru19  1  0.00000000  0.50000000  0.50000000  1.0
  Ru  Ru20  1  0.00000000  0.90060203  0.74156794  1.0
  Ru  Ru21  1  0.00000000  0.09939797  0.25843206  1.0